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Substance Name: Norphalloin, 5-glycine-
RN: 40290-21-9
InChIKey: CJDZYWFADRTIIM-UHFFFAOYSA-N

Molecular Formula

  • C33-H44-N8-O9-S

Molecular Weight

  • 728.8236
 
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Names and Synonyms

Synonyms

  • BRN 5418310
  • Gly(sup 5)-norphalloin

Systematic Name

  • Norphalloin, 5-glycine-

Registry Numbers

CAS Registry Number

  • 40290-21-9

System Generated Number

  • 0040290219

Structure Descriptors

InChI

1S/C33H44N8O9S/c1-4-7-21-28(46)35-15(2)27(45)40-26(16(3)42)31(49)38-23-14-51-32-19(18-8-5-6-9-20(18)39-32)11-22(29(47)37-21)36-25(44)12-34-30(48)24-10-17(43)13-41(24)33(23)50/h5-6,8-9,15-17,21-24,26,39,42-43H,4,7,10-14H2,1-3H3,(H,34,48)(H,35,46)(H,36,44)(H,37,47)(H,38,49)(H,40,45)

InChIKey

CJDZYWFADRTIIM-UHFFFAOYSA-N

Smiles

CCCC1C(=O)NC(C(=O)NC(C(=O)NC2CSc3c(c4ccccc4[nH]3)CC(C(=O)N1)NC(=O)CNC(=O)C5CC(CN5C2=O)O)C(C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.