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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30N4O5
Molecular Weight 502.5616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLESACOSTAT

SMILES

COC1=CC(=CC(=N1)C2=CC=C(C=C2)C(O)=O)C(=O)N3CCC4(CC3)CC5=C(N(N=C5)C(C)C)C(=O)C4

InChI

InChIKey=LXZMHBHEXAELHH-UHFFFAOYSA-N
InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)

HIDE SMILES / InChI

Molecular Formula C28H30N4O5
Molecular Weight 502.5616
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 17:41:48 UTC 2023
Edited
by admin
on Thu Jul 06 17:41:48 UTC 2023
Record UNII
752DF9PPPI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLESACOSTAT
USAN  
Official Name English
BENZOIC ACID, 4-(6-METHOXY-4-((1,4,6,7-TETRAHYDRO-1-(1-METHYLETHYL)-7-OXOSPIRO(5H-INDAZOLE-5,4'-PIPERIDIN)-1'-YL)CARBONYL)-2-PYRIDINYL)-
Systematic Name English
clesacostat [INN]
Common Name English
PF05221304
Code English
PF-05221304
Code English
CLESACOSTAT [USAN]
Common Name English
4-(6-METHOXY-4-(7-OXO-1-(PROPAN-2-YL)-1,4,6,7-TETRAHYDROSPIRO(INDAZOLE-5,4'- PIPERIDINE)-1'-CARBONYL)PYRIDIN-2-YL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
INN
11615
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
FDA UNII
752DF9PPPI
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
PUBCHEM
57496611
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
SMS_ID
300000028885
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
NCI_THESAURUS
C177068
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
USAN
HI-84
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
CAS
1370448-25-1
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
PRIMARY
CAS
2248008-98-0
Created by admin on Thu Jul 06 17:41:48 UTC 2023 , Edited by admin on Thu Jul 06 17:41:48 UTC 2023
NO STRUCTURE GIVEN
Related Record Type Details
LABELED -> NON-LABELED
Related Record Type Details
ACTIVE MOIETY