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Substance Name: Carbamic acid, (5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, phenyl ester, (S)-
RN: 96737-27-8
InChIKey: DDTYQLGFZVIGEK-FQEVSTJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H27-N-O6-S

Molecular Weight

  • 493.5773
 
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Names and Synonyms

Synonyms

  • BRN 5668469
  • N-(Phenoxycarbonyl)deacetylthiocolchicine

Systematic Names

  • Carbamic acid, (5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methlthio)-9-oxobenzo(a)heptalen-7-yl)-, phenyl ester, (S)-
  • Carbamic acid, (5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, phenyl ester, (S)-

Registry Numbers

CAS Registry Number

  • 96737-27-8

System Generated Number

  • 0096737278

Structure Descriptors

InChI

1S/C27H27NO6S/c1-31-22-14-16-10-12-20(28-27(30)34-17-8-6-5-7-9-17)19-15-21(29)23(35-4)13-11-18(19)24(16)26(33-3)25(22)32-2/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)/t20-/m0/s1

InChIKey

DDTYQLGFZVIGEK-FQEVSTJZSA-N

Smiles

COc1cc2CC[C@H](NC(=O)Oc3ccccc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1204, 1985.