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Substance Name: 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine
RN: 118517-20-7
UNII: 1LMG3ZH49K
InChIKey: YPVNQSYTFZVXIY-BENLHTCUSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C37-H52-N2-O4

Molecular Weight

  • 588.828
 
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Names and Synonyms

Name of Substance

  • 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine

Synonyms

  • 3-beta-Acetoxy-5alpha-cholestano(5,6-b)N-phthalimidoaziridine
  • 3beta-Acetoxy-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine
  • CCRIS 5352
  • UNII-1LMG3ZH49K

Systematic Names

  • 1H-Isoindole-1,3(2H)-dione, 2-((3-beta,5R,6-beta)-3-(acetyloxy)cholestano(5,6-b)azirin-1'(6H)-yl)-
  • 3beta-Acetoxy-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine

Registry Numbers

CAS Registry Number

  • 118517-20-7

FDA UNII

  • 1LMG3ZH49K

System Generated Number

  • 0118517207

Structure Descriptors

InChI

1S/C37H52N2O4/c1-22(2)10-9-11-23(3)29-14-15-30-28-20-32-37(39(32)38-33(41)26-12-7-8-13-27(26)34(38)42)21-25(43-24(4)40)16-19-36(37,6)31(28)17-18-35(29,30)5/h7-8,12-13,22-23,25,28-32H,9-11,14-21H2,1-6H3/t23-,25+,28+,29-,30+,31+,32+,35-,36-,37+,39?/m1/s1

InChIKey

YPVNQSYTFZVXIY-BENLHTCUSA-N

Smiles

c1ccc2c(c1)C(N([N@]1[C@]34C[C@H](CC[C@]3(C)[C@H]3CC[C@@]5([C@H]([C@@H]3C[C@H]14)CC[C@@H]5[C@@H](CCCC(C)C)C)C)OC(=O)C)C2=O)=O