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Substance Name: Saframycin B
RN: 66082-28-8
InChIKey: KOHPLTGVBZMVDW-BBTHKVSRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N3-O8

Molecular Weight

  • 537.566
 
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Names and Synonyms

Name of Substance

  • Saframycin B

Synonym

  • Saframycin B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66082-28-8

System Generated Number

  • 0066082288

Structure Descriptors

InChI

1S/C28H31N3O8/c1-11-22(33)15-7-14-10-31-17(21(30(14)4)20(15)25(36)27(11)39-6)8-16-19(18(31)9-29-28(37)13(3)32)24(35)26(38-5)12(2)23(16)34/h14,17-18,21H,7-10H2,1-6H3,(H,29,37)/t14-,17+,18+,21-/m1/s1

InChIKey

KOHPLTGVBZMVDW-BBTHKVSRSA-N

Smiles

C1(=O)C=2[C@H]3[N@@]([C@@H](C[N@@]4[C@H](C=5C(C(OC)=C(C)C(C5C[C@@H]34)=O)=O)CNC(=O)C(C)=O)CC2C(=O)C(=C1OC)C)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,