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Substance Name: 7-i-Propoxy-7-demethoxymitomycin B
RN: 99901-08-3
InChIKey: KFPYVXVZHSDPFY-LWBGYFDBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N3-O6

Molecular Weight

  • 391.422
 
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Names and Synonyms

Results Name

  • 7-i-Propoxy-7-demethoxymitomycin B

Synonyms

  • 1a,6-Dimethyl-9-(hydroxymethyl)-7-isopropoxymitosane carbamate
  • 7-i-Propoxy-7-demethoxymitomycin B

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-8-(hydroxymethyl)-8a-methoxy-6-isopropoxy-, carbamate

Registry Numbers

CAS Registry Number

  • 99901-08-3

System Generated Number

  • 0099901083

Structure Descriptors

InChI

1S/C19H25N3O6/c1-8(2)28-16-9(3)14(23)13-12(15(16)24)10(7-27-18(20)25)19(26-5)17-11(21(17)4)6-22(13)19/h8,10-11,17H,6-7H2,1-5H3,(H2,20,25)/t10-,11?,17?,19-,21?/m1/s1

InChIKey

KFPYVXVZHSDPFY-LWBGYFDBSA-N

Smiles

N12[C@@]([C@@H]3[C@@H](C2)[N@@]3C)([C@@H](C=2C(C(OC(C)C)=C(C(C12)=O)C)=O)COC(N)=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 9750ug/kg (9.75mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 804, 1980.