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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO4S
Molecular Weight 429.572
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGANEPAG

SMILES

CCCCC[C@H](O)C1=CC=C(C=C1)N2[C@@H](CCCC3=CC=C(S3)C(O)=O)CCC2=O

InChI

InChIKey=WXWCSPFQIXPFLD-RXVVDRJESA-N
InChI=1S/C24H31NO4S/c1-2-3-4-8-21(26)17-9-11-19(12-10-17)25-18(13-16-23(25)27)6-5-7-20-14-15-22(30-20)24(28)29/h9-12,14-15,18,21,26H,2-8,13,16H2,1H3,(H,28,29)/t18-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31NO4S
Molecular Weight 429.572
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:16:10 UTC 2023
Edited
by admin
on Fri Dec 15 19:16:10 UTC 2023
Record UNII
ODT7ZEW9O7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGANEPAG
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
Aganepag [WHO-DD]
Common Name English
AGN-210937
Code English
5-(3-((2S)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXOPYRROLIDIN-2-YL)PROPYL)THIOPHENE-2- CARBOXYLIC ACID
Systematic Name English
AGANEPAG [USAN]
Common Name English
2-THIOPHENECARBOXYLIC ACID, 5-(3-((2S)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXO-2- PYRROLIDINYL)PROPYL)-
Common Name English
aganepag [INN]
Common Name English
Code System Code Type Description
USAN
YY-24
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
FDA UNII
ODT7ZEW9O7
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
NCI_THESAURUS
C174796
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
SMS_ID
300000034070
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
INN
9400
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
PUBCHEM
24759922
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
CAS
910562-18-4
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103861
Created by admin on Fri Dec 15 19:16:10 UTC 2023 , Edited by admin on Fri Dec 15 19:16:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY