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| CAS No.: | 12684-33-2 |
|---|---|
| Name: | Sibiromycin |
| Molecular Structure: | |
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| Formula: | C24H33 N3 O7 |
| Molecular Weight: | 473.53 |
| Synonyms: | 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-(1-propenyl)-,[11R-[2(E),11a,11ab]]-; 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-(1E)-1-propenyl-,(11R,11aS)- (9CI); Sibiromycin |
| Density: | 1.41g/cm3 |
| Melting Point: | >119.85°C (rough estimate) |
| Boiling Point: | 755.7°C at 760 mmHg |
| Flash Point: | 410.8°C |
| Safety: | Poison by intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 145.44000 |
| LogP: | 1.99250 |
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Chemistry
IUPAC Name: (6R,6aS)-2-[(2S,3R,4R,5S,6S)-3,4-Dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-4,6-dihydroxy-3-methyl-8-[(E)-prop-1-enyl]-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Formula:C24H33N3O7
Molecular Weight:475.53
Freely Rotating Bonds: 8
Polar Surface Area: 82.17Å2
Index of Refraction: 1.662
Molar Refractivity: 124.33 cm3
Molar Volume: 335.9 cm3
Polarizability: 49.29 ×10-24 cm3
Surface Tension: 72.8 dyne/cm
Density: 1.41 g/cm3
Flash Point: 410.8 °C
Enthalpy of Vaporization: 115.54 kJ/mol
Boiling Point: 755.7 °C at 760 mmHg
Vapour Pressure: 5.32E-24 mmHg at 25°C
The Cas Register Number of Sibiromycin is 12684-33-2.The chemical synonyms of Sibiromycin (CAS NO.12684-33-2) are (11R,11aS)-9,11-Dihydroxy-8-methyl-5-oxo-2-[(1E)-prop-1-en-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranoside ; 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl]oxy]-1,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-2-[(1E)-1-propen-1-yl]-, (11R,11aS)- ; Sibiromycin and Sybiromycin .The molecular structure of Sibiromycin (CAS NO.12684-33-2) is
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Uses
Sibiromycin (CAS NO.12684-33-2) is used in organic synthesis.
Toxicity Data With Reference
| 1. | dni-mus:ast 1 µg/L | NEOLA4 Neoplasma. 22 (1975),105. | ||
| 2. | oms-mus:ast 1 µg/L | NEOLA4 Neoplasma. 22 (1975),105. | ||
| 3. | dnd-mam:lym 400 µmol/L | BBACAQ Biochimica et Biophysica Acta. 475 (1977),521. | ||
| 4. | orl-mus LD50:459 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),185. | ||
| 5. | ipr-mus LD50:50 µg/kg | JANTAJ Journal of Antibiotics. 29 (1976),981. | ||
| 6. | scu-mus LD50:84 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),185. | ||
| 7. | ivn-mus LD50:58 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),185. |
Safety Profile
Poison by intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.