Products Categories
| CAS No.: | 3543-75-7 |
|---|---|
| Name: | Bendamustine hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C16H22Cl3N3O2 |
| Molecular Weight: | 394.729 |
| Synonyms: | 1H-Benzimidazole-2-butanoicacid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride (9CI);2-Benzimidazolebutyric acid, 5-[bis(2-chloroethyl)amino]-1-methyl-,monohydrochloride (8CI);1H-Benzimidazole-2-butanoicacid, 5-[bis(2-chloroethyl)amino]-1-methyl-, hydrochloride (1:1);Cytostasan;IMET 3393;Ribomustin;SDX 105;ZIMET 33/93;Bendamustine HCl; |
| EINECS: | 631-540-0 |
| Melting Point: | 149-151 °C |
| Boiling Point: | 585.2 °C at 760 mmHg |
| Flash Point: | 307.7 °C |
| Appearance: | pale brown crystals |
| Hazard Symbols: | T,Xn |
| Risk Codes: | 60-61-22-40 |
| Safety: | 36-37 |
| PSA: | 58.36000 |
| LogP: | 4.06660 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 4h; Reflux; | 83% |
| With hydrogenchloride; water at 40℃; for 2h; Product distribution / selectivity; | |
| With hydrogenchloride In water at 25 - 28℃; for 0.25h; |
- 3543-74-6
4-{5-[bis-(2-hydroxyl-ethyl)-amino]-1-methyl-1H-benzoimidazol-2yl}-butyric acid ethyl ester
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 4-{5-[bis-(2-hydroxyl-ethyl)-amino]-1-methyl-1H-benzoimidazol-2yl}-butyric acid ethyl ester With thionyl chloride In dichloromethane at -1 - 22℃; for 17h; Stage #2: With hydrogenchloride In water at 75℃; | 76.2% |
| Stage #1: 4-{5-[bis-(2-hydroxyl-ethyl)-amino]-1-methyl-1H-benzoimidazol-2yl}-butyric acid ethyl ester With thionyl chloride In chloroform at 0 - 5℃; Stage #2: With hydrogenchloride; pyrographite In water at 30℃; Reflux; | 75% |
| Stage #1: 4-{5-[bis-(2-hydroxyl-ethyl)-amino]-1-methyl-1H-benzoimidazol-2yl}-butyric acid ethyl ester With thionyl chloride In chloroform at 0 - 25℃; Large scale; Stage #2: With hydrogenchloride In chloroform; water Large scale; | 75% |
- 109882-25-9
4-{5-[bis-(2-chloro-ethyl)amino]-1-methyl-1H-benzoimidazol-2-yl}butyric acid methyl ester
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 4h; Reflux; Large scale reaction; | 76% |
| With hydrogenchloride; water for 4h; Reflux; | |
| With hydrogenchloride In water at 25 - 28℃; for 0.25h; |
- 1313020-25-5
bendamustine isopropyl ester
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 35 - 40℃; for 1.5h; Product distribution / selectivity; | 75% |
- 1313020-26-6
isopropyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: triethylamine / water / 2 h / 70 - 75 °C 1.2: 1.5 h / 70 - 75 °C 2.1: thionyl chloride / dichloromethane / 7 h / 0 - 30 °C 3.1: hydrogenchloride; water / 1.5 h / 35 - 40 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: N-ethyl-N,N-diisopropylamine / water / 25 - 95 °C 2.1: thionyl chloride / dichloromethane / 2 h / 25 - 60 °C 2.2: 25 - 30 °C View Scheme |
- 1221157-09-0
4-(2,4-dinitrophenylcarbamoyl)butyric acid methyl ester
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium carbonate / acetonitrile / 23 - 25 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 3: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 4: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 4 steps 1.1: potassium carbonate / acetonitrile / 23 - 25 °C 2.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 2.2: 2 h / 60 - 65 °C 3.1: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 4.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 4 steps 1.1: potassium carbonate / acetonitrile / 23 - 25 °C 2.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 2.2: 2 h / 60 - 65 °C 3.1: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 4.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 4 steps 1: potassium carbonate / acetonitrile / 23 - 25 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 3: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 4: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme |
- 1221157-10-3
4-[(2,4-dinitrophenyl)methylcarbamoyl]butyric acid methyl ester
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 2: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 3: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 3 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 1.2: 2 h / 60 - 65 °C 2.1: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 3.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 3 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 1.2: 2 h / 60 - 65 °C 2.1: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 3.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 2: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 3: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme |
- 1221157-11-4
4-(5-amino-1-methyl-1H-benzoimidazol-2-yl)butyric acid methyl ester hydrochloride
- 3543-75-7
bendamustine hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 2: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 2 steps 1: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 2: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2: potassium carbonate / acetonitrile / 23 - 25 °C 3: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 4: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 5: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 5 steps 1.1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2.1: potassium carbonate / acetonitrile / 23 - 25 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 3.2: 2 h / 60 - 65 °C 4.1: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 5.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 5 steps 1.1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2.1: potassium carbonate / acetonitrile / 23 - 25 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 3.2: 2 h / 60 - 65 °C 4.1: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 5.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 5 steps 1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2: potassium carbonate / acetonitrile / 23 - 25 °C 3: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 4: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 5: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2: potassium carbonate / acetonitrile / 23 - 25 °C 3: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 4: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 5: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 5 steps 1.1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2.1: potassium carbonate / acetonitrile / 23 - 25 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 3.2: 2 h / 60 - 65 °C 4.1: sodium tetrahydroborate / 1,2-dichloro-ethane / 30 - 50 °C / Large scale reaction 5.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 5 steps 1.1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2.1: potassium carbonate / acetonitrile / 23 - 25 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 3.2: 2 h / 60 - 65 °C 4.1: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 5.1: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme | |
| Multi-step reaction with 5 steps 1: toluene / 6 h / 95 - 105 °C / Large scale reaction 2: potassium carbonate / acetonitrile / 23 - 25 °C 3: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2068.65 Torr / Large scale reaction 4: borane-THF / tetrahydrofuran / 30 - 50 °C / Large scale reaction 5: hydrogenchloride / 4 h / Reflux; Large scale reaction View Scheme |
- 80214-83-1Roxithromycin
- 84057-84-1Lamotrigine
- 84082-34-8Bilberry Extract
- 633-65-8Berberine hydrochloride
- 136-47-0Benzoicacid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1)
- 83915-83-7Lisinopril
- 611-75-6Benzenemethanamine,2-amino-3,5-dibromo-N-cyclohexyl-N-methyl-, hydrochloride (1:1)
- 350-03-83-Acetylpyridine
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Chemistry
The molecular structure of Bendamustine hydrochloride (CAS NO.3543-75-7):
IUPAC Name: 4-[5-[Bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid hydrochloride
Molecular Weight: 394.72378 g/mol
Molecular Formula: C16H22Cl3N3O2
Melting Point: 149-151 °C
Flash Point: 307.7 °C
Enthalpy of Vaporization: 91.95 kJ/mol
Boiling Point: 585.2 °C at 760 mmHg
Vapour Pressure: 1.55E-14 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 393.07776
MonoIsotopic Mass: 393.07776
Topological Polar Surface Area: 58.4
Heavy Atom Count: 24
Canonical SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl
InChI: InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H
InChIKey: ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Product Categories: API intermediates; Intermediates & Fine Chemicals; Pharmaceuticals
Uses
Bendamustine hydrochloride (CAS NO.3543-75-7) is used as an anticancer drug.
Toxicity Data With Reference
| 1. | orl-mus TDLo:250 mg/kg/4D-I:CAR | ARGEAR Archiv fuer Geschwulstforschung. 43 (1974),16. | ||
| 2. | ipr-mus TDLo:50 mg/kg/4D-I:CAR | ARGEAR Archiv fuer Geschwulstforschung. 43 (1974),16. | ||
| 3. | orl-rat LD50:200 mg/kg | ATSUDG Archives of Toxicology, Supplement. 8 (1985),504. | ||
| 4. | ivn-rat LD50:40 mg/kg | ATSUDG Archives of Toxicology, Supplement. 8 (1985),504. | ||
| 5. | orl-mus LD50:250 mg/kg | ARGEAR Archiv fuer Geschwulstforschung. 43 (1974),16. | ||
| 6. | ipr-mus LD50:100 mg/kg | ARGEAR Archiv fuer Geschwulstforschung. 43 (1974),16. | ||
| 7. | ivn-mus LD50:80 mg/kg | ATSUDG Archives of Toxicology, Supplement. 8 (1985),504. |
Safety Profile
A poison by ingestion, intravenous, and intraperitoneal routes. Questionable carcinogen with experimental carcinogenic and teratogenic data. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Specification
Bendamustine hydrochloride (CAS NO.3543-75-7) is also named as Bendamustin hydrochloride ; Bendamustine HCl ; CCRIS 1864 ; Cytostasan ; IMET 3393 ; NSC 138783 ; Ribomustin ; SDX 105 ; Treanda ; UNII-981Y8SX18M ; gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid ; gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid [German] . Bendamustine hydrochloride (CAS NO.3543-75-7) is pale brown crystals.