Basic information
- Name:
Bendamustine hydrochloride
- CAS No.:
3543-75-7
- Molecular Structure:
- Formula:
- C16H22Cl3N3O2
- Molecular Weight:
- 394.76
- 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;
- Melting Point:
- 149-151 °C
- Boiling Point:
- 585.2 °C at 760 mmHg
- Flash Point:
- 307.7 °C
- Appearance:
- pale brown crystals
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
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.
