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Basic Information
CAS No.: 18865-46-8
Name: ACTINOMYCIN I FROM STREPTOMYCESANTIBIOTI CUS
Molecular Structure:
Molecular Structure of 18865-46-8 (ACTINOMYCIN I FROM STREPTOMYCESANTIBIOTI CUS)
Formula: C62H86 N12 O17
Molecular Weight: 1271.44
Synonyms: ActinomycinD, 3A-(4-hydroxy-L-proline)-;1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, actinomycin D deriv.;3H-Phenoxazine, actinomycin D deriv.; Actinomycin X0b
Density: 1.44g/cm3
Boiling Point: 1410.5°C at 760 mmHg
Flash Point: 806.8°C
Hazard Symbols:
Risk Codes: 45-46-61-26/27/28
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 394.17000
LogP: 1.60640
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Chemistry

Molecular Formula: C62H86N12O
Molecular Weight: 1271.416440 g/mol
The Molecular Structure of Actinomycin X0(beta) (CAS NO.18865-46-8):
Density: 1.44 g/cm3
Flash Point: 806.8 °C
Enthalpy of Vaporization: 224.83 kJ/mol
Boiling Point: 1410.5 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C 
IUPAC: 2-amino-1-N-[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Classification: Mutation data
Nominal Mass: 1270 Da
Average Mass: 1271.4164 Da
Monoisotopic Mass: 1270.623389 Da 
ACD/LogP: -5.31 
Polar Surface Area: 306.83Å2 
Index of Refraction: 1.661
Molar Refractivity: 324.51 cm3
Molar Volume: 877.8 cm3
Surface Tension: 55.1 dyne/cm
Smiles:c1(c2nc3c(oc2c(C)c(c1N)=O)c(ccc3C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CCC2)=O)C(C)C)=O)=O)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)C[C@@H](C2)O)=O)C(C)C

Toxicity Data With Reference

1.    

dnr-esc 28800 µg/

     MUREAV    Mutation Research. 391 (1997),33.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Actinomycin X0(beta) (CAS NO.18865-46-8) is also called as 3(sup A)-(4-Hydroxy-L-proline)actinomycin D ; Actinomycin D, 3(sup A)-(4-hydroxy-L-proline)- .