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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C20H20FNO4.H2O
Molecular Weight 732.7663
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARABERSAT HEMIHYDRATE

SMILES

O.CC(=O)C1=CC2=C(OC(C)(C)[C@H](O)[C@H]2NC(=O)C3=CC=C(F)C=C3)C=C1.CC(=O)C4=CC5=C(OC(C)(C)[C@H](O)[C@H]5NC(=O)C6=CC=C(F)C=C6)C=C4

InChI

InChIKey=QVTLCQAMIIJUQD-LKKSXLMASA-N
InChI=1S/2C20H20FNO4.H2O/c2*1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12;/h2*4-10,17-18,24H,1-3H3,(H,22,25);1H2/t2*17-,18+;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CARABERSAT HEMIHYDRATE
Common Name English
BENZAMIDE, N-(6-ACETYL-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-4-YL)-4-FLUORO-, HYDRATE (2:1), (3R-TRANS)-
Systematic Name English
Code System Code Type Description
CAS
185122-82-1
Created by admin on Fri Dec 15 15:25:53 UTC 2023 , Edited by admin on Fri Dec 15 15:25:53 UTC 2023
PRIMARY
PUBCHEM
71498969
Created by admin on Fri Dec 15 15:25:53 UTC 2023 , Edited by admin on Fri Dec 15 15:25:53 UTC 2023
PRIMARY
FDA UNII
G02OAY25RC
Created by admin on Fri Dec 15 15:25:53 UTC 2023 , Edited by admin on Fri Dec 15 15:25:53 UTC 2023
PRIMARY