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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H48N2O3S.ClH
Molecular Weight 541.229
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PATIDEGIB HYDROCHLORIDE

SMILES

Cl.[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C[C@@]5([H])[C@@]4([H])CC[C@]6([H])C[C@@H](CC[C@]56C)NS(C)(=O)=O)=C(C)C3)O2

InChI

InChIKey=LICVMCOINZNZNW-BATHLIJTSA-N
InChI=1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PATIDEGIB HYDROCHLORIDE
USAN  
USAN  
Official Name English
FIN-6 HYDROCHLORIDE
Code English
PATIDEGIB HYDROCHLORIDE [USAN]
Common Name English
IPI-926 HYDROCHLORIDE
Code English
SARIDEGIB HYDROCHLORIDE
WHO-DD  
Common Name English
Patidegib hydrochloride [WHO-DD]
Common Name English
IP-9 HYDROCHLORIDE
Code English
Code System Code Type Description
CAS
1169829-40-6
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY
SMS_ID
300000010627
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301623
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY
FDA UNII
ZL14FCA5PK
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY
PUBCHEM
42642200
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY
NCI_THESAURUS
C170287
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY
USAN
YY-140
Created by admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
PRIMARY