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Substance Name: Saframycin R
RN: 106209-14-7
InChIKey: GATZXGIUISULHU-WDDJOWQOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H34-N4-O10

Molecular Weight

  • 622.6276
 
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Names and Synonyms

Results Name

  • Saframycin R

Synonym

  • Saframycin R

Systematic Name

  • Acetic acid, hydroxy-, 7-cyano-9-(((1,2-dioxopropyl)amino)methyl)-1,5,6,7,9,14,14a,15-octahydro-10-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4-dioxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-13-yl ester, (6S-(6-alpha,7-alpha,9-beta,14a-alpha,15-alpha))-

Registry Numbers

CAS Registry Number

  • 106209-14-7

System Generated Number

  • 0106209147

Structure Descriptors

InChI

1S/C31H34N4O10/c1-12-25(39)15-8-18-24-23-16(26(40)13(2)29(44-6)30(23)45-21(38)11-36)7-17(34(24)4)19(9-32)35(18)20(10-33-31(42)14(3)37)22(15)27(41)28(12)43-5/h17-20,24,36,40H,7-8,10-11H2,1-6H3,(H,33,42)/t17-,18+,19+,20+,24-/m1/s1

InChIKey

GATZXGIUISULHU-WDDJOWQOSA-N

Smiles

Cc1c(c2c(c(c1OC)OC(=O)CO)[C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@@H](C2)N3C)C#N)CNC(=O)C(=O)C)C(=O)C(=C(C5=O)C)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 26mg/kg (26mg/kg)   Journal of Antibiotics. Vol. 35, Pg. 1708, 1982.
mouse LD50 intravenous 29500ug/kg (29.5mg/kg)   Journal of Antibiotics. Vol. 35, Pg. 1708, 1982.