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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H45NO2.ClH
Molecular Weight 452.113
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOMATIDINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@]6(CC[C@H](C)CN6)O2

InChI

InChIKey=SXXHVPYRDFJKPG-VXJLCZPPSA-N
InChI=1S/C27H45NO2.ClH/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TOMATIDINE HYDROCHLORIDE
MI  
Common Name English
TOMATIDIN HYDROCHLORIDE
Common Name English
TOMATIDINE HYDROCHLORIDE [MI]
Common Name English
SPIROSOLAN-3-OL, HYDROCHLORIDE (1:1), (3.BETA.,5.ALPHA.,22.BETA.,25S)-
Common Name English
NSC-735985
Code English
Code System Code Type Description
NSC
735985
Created by admin on Sat Dec 16 09:35:12 UTC 2023 , Edited by admin on Sat Dec 16 09:35:12 UTC 2023
PRIMARY
PUBCHEM
60196284
Created by admin on Sat Dec 16 09:35:12 UTC 2023 , Edited by admin on Sat Dec 16 09:35:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID9045978
Created by admin on Sat Dec 16 09:35:11 UTC 2023 , Edited by admin on Sat Dec 16 09:35:11 UTC 2023
PRIMARY
CAS
6192-62-7
Created by admin on Sat Dec 16 09:35:11 UTC 2023 , Edited by admin on Sat Dec 16 09:35:11 UTC 2023
PRIMARY
MERCK INDEX
m10973
Created by admin on Sat Dec 16 09:35:12 UTC 2023 , Edited by admin on Sat Dec 16 09:35:12 UTC 2023
PRIMARY Merck Index
FDA UNII
ENY5VJU5UB
Created by admin on Sat Dec 16 09:35:11 UTC 2023 , Edited by admin on Sat Dec 16 09:35:11 UTC 2023
PRIMARY