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Substance Name: Saframycin D
RN: 66082-30-2
InChIKey: JRGSNFZUTBSLSG-ZKNHNOBHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N3-O9

Molecular Weight

  • 553.565
 
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Names and Synonyms

Name of Substance

  • Saframycin D

Synonym

  • Saframycin D

Systematic Name

  • Propanamide, N-((6,7,9,10,13,14,14a,15-octahydro-1,4-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-5,10,13-trioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-oxo-, (6R-(6-alpha,9-beta,14a-alpha,15-alpha))-

Registry Numbers

CAS Registry Number

  • 66082-30-2

System Generated Number

  • 0066082302

Structure Descriptors

InChI

1S/C28H31N3O9/c1-10-21(33)13-7-14-20-18-19(22(34)11(2)27(40-6)25(18)37)23(35)16(30(20)4)9-31(14)15(8-29-28(38)12(3)32)17(13)24(36)26(10)39-5/h14-16,20,34,37H,7-9H2,1-6H3,(H,29,38)/t14-,15-,16-,20+/m0/s1

InChIKey

JRGSNFZUTBSLSG-ZKNHNOBHSA-N

Smiles

C1(=O)c2c(c(c(OC)c(C)c2O)O)[C@H]2[N@@]([C@H]1C[N@@]1[C@H](C=3C(C(OC)=C(C(=O)C3C[C@@H]21)C)=O)CNC(=O)C(C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   British UK Patent Application. Vol. #2003853,