5-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-HYDROXYBENZOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19NO4
Molecular Weight	301.3371
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-HYDROXYBENZOIC ACID

Structure Search

SMILES

[H][C@@]12CCC[C@@](O)(C#CC3=CC(C(O)=O)=C(O)C=C3)[C@]1([H])CCN2

InChI

InChIKey=ZKQPQHPHAJWPQG-CKEIUWERSA-N

InChI=1S/C17H19NO4/c19-15-4-3-11(10-12(15)16(20)21)5-8-17(22)7-1-2-14-13(17)6-9-18-14/h3-4,10,13-14,18-19,22H,1-2,6-7,9H2,(H,20,21)/t13-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H19NO4
Molecular Weight	301.3371
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:16:42 UTC 2023` Edited by `admin` on `Sat Dec 16 16:16:42 UTC 2023`
Record UNII	T7P26XM9B0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-HYDROXYBENZOIC ACID

Systematic Name

English

MAVOGLURANT METABOLITE M13

Common Name

English

Code System Code Type Description

PUBCHEM

155491190

Created by admin on Sat Dec 16 16:16:43 UTC 2023 , Edited by admin on Sat Dec 16 16:16:43 UTC 2023

PRIMARY

PUBCHEM

FDA UNII

T7P26XM9B0

Created by admin on Sat Dec 16 16:16:43 UTC 2023 , Edited by admin on Sat Dec 16 16:16:43 UTC 2023

PRIMARY

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