LAPAQUISTAT ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H41ClN2O9
Molecular Weight	645.14
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=CMLUGNQVANVZHY-POURPWNDSA-N

InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-25-10-9-22(34)16-24(25)30(23-7-6-8-26(42-4)31(23)43-5)45-27(32(36)41)17-28(38)35-13-11-21(12-14-35)15-29(39)40/h6-10,16,21,27,30H,11-15,17-19H2,1-5H3,(H,39,40)/t27-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H41ClN2O9
Molecular Weight	645.14
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 16:10:13 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:13 UTC 2023`
Record UNII	IUH3AY74O3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAPAQUISTAT ACETATE

Official Name

English

TAK-475

Code

English

2-(1-(2-((3R,5S)-1-(3-ACETOXY-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

TAK 475

Code

English

4-PIPERIDINEACETIC ACID, 1-(((3R,5S)-1-(3-(ACETYLOXY)-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

LAPAQUISTAT ACETATE [USAN]

Common Name

English

LAPAQUISTAT ACETATE [JAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29703