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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H49NO5
Molecular Weight 539.7459
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERALKAMINE N,O,O-TRIACETATE

SMILES

[H][C@@]12C[C@H](OC(C)=O)[C@@](C)([C@H](C)[C@]3([H])CC[C@H](C)CN3C(C)=O)C1=CC[C@@]4([H])[C@@]2([H])CC=C5C[C@H](CC[C@]45C)OC(C)=O

InChI

InChIKey=WSIMJWWRDIDULJ-MYBSUPNISA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
VERALKAMINE N,O,O-TRIACETATE
MI  
Common Name English
3-PIPECOLINE, 1-ACETYL-6-(3.BETA.,16.BETA.-DIHYDROXY-17-METHYL-18-NOR-17.ALPHA.-PREGNA-5,12-DIEN-20.ALPHA.-YL)-, DIACETATE (ESTER), (3S,6S)-
Systematic Name English
VERALKAMINE N,O,O-TRIACETATE [MI]
Common Name English
Code System Code Type Description
CAS
17155-32-7
Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY
FDA UNII
371986TW0N
Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY
PUBCHEM
91617940
Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY
MERCK INDEX
m11413
Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY Merck Index