LAPAQUISTAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H39ClN2O8
Molecular Weight	603.103
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LAPAQUISTAT

Structure Search

SMILES

COC1=CC=CC([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)CO)C4=C2C=C(Cl)C=C4)=C1OC

InChI

InChIKey=HDGUKVZPMPJBFK-LEAFIULHSA-N

InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

LAPAQUISTAT

Official Name

English

2-(1-(2-((3R,5S)-1-(3-HYDROXY-2,2-DIMETHYLPROPYL)-7-CHLORO-5-(2,3- DIMETHOXYPHENYL)-2-OXO-1,2,3,5-TETRAHYDROBENZO(E)(1,4)OXAZEPIN-3-YL)ACETYL)PIPERIDIN-4-YL)ACETIC ACID

Systematic Name

English

lapaquistat [INN]

Common Name

English

4-PIPERIDINEACETIC ACID, 1-(((3R,5S)-1-(3-(HYDROXY)-2,2-DIMETHYLPROPYL)-7-CHLORO-5-(2,3-DIMETHOXYPHENYL)-1,2,3,5-TETRAHYDRO-2-OXO-4,1-BENZOXAZEPIN-3-YL)ACETYL)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29703

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C96287

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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EPA CompTox

DTXSID80172294

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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INN

8662

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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FDA UNII

PEZ79BV72X

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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SMS_ID

300000036999

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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WIKIPEDIA

LAPAQUISTAT

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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PUBCHEM

9960389

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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CAS

189059-71-0

Created by admin on Fri Dec 15 19:15:30 UTC 2023 , Edited by admin on Fri Dec 15 19:15:30 UTC 2023

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ACTIVE MOIETY


					PEZ79BV72X