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Substance Name: Veralkamine N,O,O-triacetate
RN: 17155-32-7
UNII: 371986TW0N
InChIKey: WSIMJWWRDIDULJ-MYBSUPNISA-N

Molecular Formula

  • C33-H49-N-O5

Molecular Weight

  • 539.7521
 
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Names and Synonyms

Name of Substance

  • Veralkamine N,O,O-triacetate

Synonyms

  • 3-Pipecoline, 1-acetyl-6-(3beta,16beta-dihydroxy-17-methyl-18-nor-17alpha-pregna-5,12-dien-20alpha-yl)-, diacetate (ester), (3S,6S)-
  • UNII-371986TW0N
  • Veralkamine N,O,O-triacetate
  • Veralkamine N,O,O-triacetate [MI]

Registry Numbers

CAS Registry Number

  • 17155-32-7

FDA UNII

  • 371986TW0N

System Generated Number

  • 0017155327

Structure Descriptors

InChI

1S/C33H49NO5/c1-19-8-13-30(34(18-19)21(3)35)20(2)33(7)29-12-11-28-26(27(29)17-31(33)39-23(5)37)10-9-24-16-25(38-22(4)36)14-15-32(24,28)6/h9,12,19-20,25-28,30-31H,8,10-11,13-18H2,1-7H3/t19-,20+,25-,26-,27-,28-,30-,31-,32-,33-/m0/s1

InChIKey

WSIMJWWRDIDULJ-MYBSUPNISA-N

Smiles

C[C@H]1CC[C@H](N(C1)C(=O)C)[C@@H](C)[C@@]2([C@H](C[C@@H]3C2=CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)OC(=O)C)C