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63339-68-4

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Basic Information
CAS No.: 63339-68-4
Name: chuangxinmycin
Molecular Structure:
Molecular Structure of 63339-68-4 (chuangxinmycin)
Formula: C12H11 N O2 S
Molecular Weight: 233.291
Synonyms: 2H-Thiopyrano[4,3,2-cd]indole-2-carboxylicacid, 3,5-dihydro-3-methyl-, (2R-cis)-; (-)-Chuangxinmycin; Chuanghsinmycin;Chuangxinmycin
Density: 1.434g/cm3
Boiling Point: 519.4°C at 760 mmHg
Flash Point: 267.9°C
Safety: Moderately toxic by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx.
PSA: 78.39000
LogP: 2.83030
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Chemistry

Empirical Formula: C12H11NO2S
Molecular Weight: 233.2862g/mol 
Systematic Name: (2R,3S)-3-methyl-3,5-dihydro-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid
SMILES: O=C(O)[C@@H]2Sc3c1c(ncc1[C@@H]2C)ccc3
InChI: InChI=1/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1
InChIKey: DKHFLDXCKWDVMF-UPONEAKYBF 
Surface Tension: 69.2 dyne/cm
Density: 1.434 g/cm3
Flash Point: 267.9 °C
Boiling Point: 519.4 °C at 760 mmHg
Enthalpy of Vaporization: 83.39 kJ/mol 
Vapour Pressure: 1.3E-11 mmHg at 25°C
Structure of Chuanghsinmycin (CAS NO.63339-68-4):

Toxicity Data With Reference

1.    

orl-mus LD50:1770 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),133.
2.    

ipr-mus LD50:875 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),133.
3.    

ivn-mus LD50:600 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),133.

Safety Profile

Moderately toxic by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx.

Specification

  Chuanghsinmycin , its cas register number is 63339-68-4. It also can be called (2R,3S)-3-methyl-3,5-dihydro-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid and 2H-Thiopyrano(4,3,2-cd)indole-2-carboxylic acid, 3,5-dihydro-3-methyl-, cis-(-)- .When Chuanghsinmycin (CAS NO.63339-68-4) is heated to decomposition, it emits toxic fumes of SOx and NOx.