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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H24F3NO6.2H2O
Molecular Weight 563.519
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-0533 DIHYDRATE

SMILES

O.O.CC[C@@H](OC1=CC=CC(=C1)N2C(C)=C(C(=O)C3=CC=C(OC)C=C3)C4=CC=C(OC(F)(F)F)C=C24)C(O)=O

InChI

InChIKey=IYPIJSKHFOMNRC-PPLJNSMQSA-N
InChI=1S/C28H24F3NO6.2H2O/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31;;/h5-15,24H,4H2,1-3H3,(H,34,35);2*1H2/t24-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MK-0533 DIHYDRATE
Common Name English
BUTANOIC ACID, 2-(3-(3-(4-METHOXYBENZOYL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL)PHENOXY)-, HYDRATE (1:2), (2R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11678533
Created by admin on Fri Dec 15 16:25:44 UTC 2023 , Edited by admin on Fri Dec 15 16:25:44 UTC 2023
PRIMARY
CAS
910378-55-1
Created by admin on Fri Dec 15 16:25:44 UTC 2023 , Edited by admin on Fri Dec 15 16:25:44 UTC 2023
PRIMARY
FDA UNII
T6HRP1ZCCK
Created by admin on Fri Dec 15 16:25:44 UTC 2023 , Edited by admin on Fri Dec 15 16:25:44 UTC 2023
PRIMARY