Products Categories
| CAS No.: | 13553-79-2 |
|---|---|
| Name: | 1,4-Dideoxy-1,4-dihydro-1,4-dioxo-rifamycin |
| Molecular Structure: | |
|
|
|
| Formula: | C37H45NO12 |
| Molecular Weight: | 695.764 |
| Synonyms: | 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone,5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate(7CI,8CI);Rifomycin S (6CI);NSC 144130; |
| EINECS: | 236-938-4 |
| Density: | 1.338 g/cm3 |
| Melting Point: | 179-181 °C (dec.) |
| Boiling Point: | 917.4 °C at 760 mmHg |
| Flash Point: | 508.615 °C |
| Appearance: | Yellow orange crystalline powder |
| PSA: | 194.99000 |
| LogP: | 3.95910 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 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
- 13929-35-6
rifamycin B
- 13553-79-2
rifamycin S
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol 1.) 5 min; 2.) room temperature, 5 h; | 91% |
| Conditions | Yield |
|---|---|
| In ethyl acetate at 70℃; for 4.75h; Product distribution; | A 70% B 80% |
| Conditions | Yield |
|---|---|
| In ethyl acetate at 70℃; for 5.75h; Product distribution; | A 71% B 46% |
| Conditions | Yield |
|---|---|
| In ethyl acetate at 70℃; for 6.25h; Product distribution; | A 67% B 37% |
A
- 14752-66-0
sodium p-chlorobenzenesulphinate
B
- 5138-90-9
sodium 4-chlorobenzenesulfonate
C
- 13553-79-2
rifamycin S
| Conditions | Yield |
|---|---|
| In ethyl acetate at 70℃; for 4h; Product distribution; | A n/a B n/a C 49% |
- 54356-09-1
4-[(2R)-2-((S)-1-hydroxy-ethyl)-pyrrolidin-1-yl]-4-deoxy-rifamycin
- 13553-79-2
rifamycin S
| Conditions | Yield |
|---|---|
| With cis-nitrous acid |
- 14487-05-9
rifamycin O
- 13553-79-2
rifamycin S
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrahydrofuran 2: HNO2 View Scheme |
- 13553-79-2
rifamycin S
- 6998-60-3
rifamycin SV
| Conditions | Yield |
|---|---|
| With ascorbic acid 1.) phosphate buffer, pH 7.0, 50 deg C; 2.) 4 deg C, 1 day; | 88% |
| Conditions | Yield |
|---|---|
| With dimethyl sulfoxide In water for 3h; Ambient temperature; | 87% |
| Conditions | Yield |
|---|---|
| With dimethyl sulfoxide In water for 3h; Ambient temperature; | 85% |
- 1313-13-9Manganese dioxide
- 110-82-7Cyclohexane
- 7447-41-8Lithium chloride (LiCl)
- 8017-16-1Polyphosphoric acids
- 77182-82-2Glufosinate-ammonium
- 5856-63-31-Butanol, 2-amino-,(2R)-
- 1336-21-6Ammonium hydroxide
- 7646-69-7Sodium hydride
- 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
Specification
The Rifamycin S is an organic compound with the formula C37H45NO12. The systematic name of this chemical is (2S, 12Z, 14E, 16S, 17S, 18R, 19R, 20R, 21S, 22R, 23S, 24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b ]furan-21-yl acetate. With the CAS registry number 13553-79-2, it is also named as 2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S, 12Z, 14E, 16S, 17S, 18R, 19R, 20R, 21S, 22R, 23S, 24E)-. The product's classification codes are Drug / Therapeutic Agent; Natural Product. Besides, it can be used as pharmaceutical intermediate.
Physical properties about Rifamycin S are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 13; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 194.99 Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 178.956 cm3; (14)Molar Volume: 519.843 cm3; (15)Polarizability: 70.944×10-24cm3; (16)Surface Tension: 61.847 dyne/cm; (17)Density: 1.338 g/cm3; (18)Flash Point: 508.615 °C; (19)Enthalpy of Vaporization: 139.754 kJ/mol; (20)Boiling Point: 917.383 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)O[C@H]1[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(\C)C(=O)N\C4=C\C(=O)c3c2C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H]1C)Oc2c(C)c(O)c3C4=O
(2)InChI: InChI=1/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
(3)InChIKey: BTVYFIMKUHNOBZ-ODRIEIDWBD
(4)Std. InChI: InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
(5)Std. InChIKey: BTVYFIMKUHNOBZ-ODRIEIDWSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 258mg/kg (258mg/kg) | "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 865, 1978. | |
| mouse | LD50 | intravenous | 122mg/kg (122mg/kg) | "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 1, Pg. 865, 1978. | |
| mouse | LD50 | oral | > 3gm/kg (3000mg/kg) | Experientia. Vol. 16, Pg. 412, 1960. |