U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H49NO9.ClH
Molecular Weight 628.194
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CEVADINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12CC[C@@]3([H])[C@]4(O)C[C@H](O)[C@@]5(O)[C@@]([H])(CN6C[C@@H](C)CC[C@@]6([H])[C@@]5(C)O)[C@]4(O)C[C@@]37O[C@]1(O)[C@H](CC[C@@]27C)OC(=O)C(\C)=C/C

InChI

InChIKey=VSARLHXBMYVYSM-ZLVREPKBSA-N
InChI=1S/C32H49NO9.ClH/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36;/h6,17,19-24,34,36-40H,7-16H2,1-5H3;1H/b18-6-;/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CEVADINE HYDROCHLORIDE
Common Name English
CEVANE-3,4,12,14,16,17,20-HEPTOL, 4,9-EPOXY-, 3-(2-METHYL-2-BUTENOATE), HYDROCHLORIDE, (3.BETA.(Z),4.ALPHA.,16.BETA.)-
Systematic Name English
CEVANE-3,4,12,14,16,17,20-HEPTOL, 4,9-EPOXY-, 3-((2Z)-2-METHYL-2-BUTENOATE), HYDROCHLORIDE (1:1), (3.BETA.,4.ALPHA.,16.BETA.)-
Systematic Name English
CEVANE-3.BETA.,4.BETA.,12,14,16.BETA.,17,20-HEPTOL, 4,9-EPOXY-, 3-ANGELATE, HYDROCHLORIDE, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
75GK03249U
Created by admin on Sat Dec 16 09:03:46 UTC 2023 , Edited by admin on Sat Dec 16 09:03:46 UTC 2023
PRIMARY
CAS
17666-25-0
Created by admin on Sat Dec 16 09:03:46 UTC 2023 , Edited by admin on Sat Dec 16 09:03:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID30657581
Created by admin on Sat Dec 16 09:03:46 UTC 2023 , Edited by admin on Sat Dec 16 09:03:46 UTC 2023
PRIMARY
PUBCHEM
16220094
Created by admin on Sat Dec 16 09:03:46 UTC 2023 , Edited by admin on Sat Dec 16 09:03:46 UTC 2023
PRIMARY