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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N2O3
Molecular Weight 350.411
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VOMILENINE

SMILES

C\C=C1\[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(C)=O)[C@H]3[C@H]1C[C@H]2C4=NC6=CC=CC=C56

InChI

InChIKey=BERYBAUEDCRDKM-FKFYEQBHSA-N
InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17-,19+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22N2O3
Molecular Weight 350.411
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:21:32 GMT 2025
Edited
by admin
on Mon Mar 31 23:21:32 GMT 2025
Record UNII
C9L2GUG8W2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AJMALAN-17,21-DIOL, 1,2,19,20-TETRADEHYDRO-1-DEMETHYL-, 17-ACETATE, (17R,19E,21.ALPHA.)-
Preferred Name English
VOMILENINE
Common Name English
Code System Code Type Description
WIKIPEDIA
Vomilenine
Created by admin on Mon Mar 31 23:21:32 GMT 2025 , Edited by admin on Mon Mar 31 23:21:32 GMT 2025
PRIMARY
FDA UNII
C9L2GUG8W2
Created by admin on Mon Mar 31 23:21:32 GMT 2025 , Edited by admin on Mon Mar 31 23:21:32 GMT 2025
PRIMARY
CAS
6880-50-8
Created by admin on Mon Mar 31 23:21:32 GMT 2025 , Edited by admin on Mon Mar 31 23:21:32 GMT 2025
PRIMARY
PUBCHEM
5479072
Created by admin on Mon Mar 31 23:21:32 GMT 2025 , Edited by admin on Mon Mar 31 23:21:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID601046419
Created by admin on Mon Mar 31 23:21:32 GMT 2025 , Edited by admin on Mon Mar 31 23:21:32 GMT 2025
PRIMARY
CHEBI
16408
Created by admin on Mon Mar 31 23:21:32 GMT 2025 , Edited by admin on Mon Mar 31 23:21:32 GMT 2025
PRIMARY