METHYL (3AR,4S,7AR)-4-(2-(3,4-DIHYDROXY-3-METHYL-CYCLOHEXA-1,5-DIEN-1-YL)ETHYNYL)-4-HYDROXY-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

Details

Stereochemistry	MIXED
Molecular Formula	C19H25NO5
Molecular Weight	347.4055
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL (3AR,4S,7AR)-4-(2-(3,4-DIHYDROXY-3-METHYL-CYCLOHEXA-1,5-DIEN-1-YL)ETHYNYL)-4-HYDROXY-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

Structure Search

SMILES

[H][C@@]12CCC[C@@](O)(C#CC3=CC(C)(O)C(O)C=C3)[C@]1([H])CCN2C(=O)OC

InChI

InChIKey=JFQMVTMWTBPJRE-PRFCVVAOSA-N

InChI=1S/C19H25NO5/c1-18(23)12-13(5-6-16(18)21)7-10-19(24)9-3-4-15-14(19)8-11-20(15)17(22)25-2/h5-6,12,14-16,21,23-24H,3-4,8-9,11H2,1-2H3/t14-,15-,16?,18?,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H25NO5
Molecular Weight	347.4055
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	3 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:09:51 UTC 2023` Edited by `admin` on `Sat Dec 16 16:09:51 UTC 2023`
Record UNII	YT43QT5GUW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL (3AR,4S,7AR)-4-(2-(3,4-DIHYDROXY-3-METHYL-CYCLOHEXA-1,5-DIEN-1-YL)ETHYNYL)-4-HYDROXY-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

Systematic Name

English

MAVOGLURANT METABOLITE M18

Common Name

English

Code System Code Type Description

PUBCHEM

156613752

Created by admin on Sat Dec 16 16:09:52 UTC 2023 , Edited by admin on Sat Dec 16 16:09:52 UTC 2023

PRIMARY

FDA UNII

YT43QT5GUW

Created by admin on Sat Dec 16 16:09:52 UTC 2023 , Edited by admin on Sat Dec 16 16:09:52 UTC 2023

PRIMARY

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