METHYL (3AR,4S,7AR)-4-HYDROXY-4-(2-(3-(HYDROXYMETHYL)PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23NO4
Molecular Weight	329.3902
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL (3AR,4S,7AR)-4-HYDROXY-4-(2-(3-(HYDROXYMETHYL)PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

Structure Search

SMILES

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

InChI

InChIKey=XKALILIXJRUNMB-ZHALLVOQSA-N

InChI=1S/C19H23NO4/c1-24-18(22)20-11-8-16-17(20)6-3-9-19(16,23)10-7-14-4-2-5-15(12-14)13-21/h2,4-5,12,16-17,21,23H,3,6,8-9,11,13H2,1H3/t16-,17-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H23NO4
Molecular Weight	329.3902
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 16:08:36 GMT 2023` Edited by `admin` on `Sat Dec 16 16:08:36 GMT 2023`
Record UNII	025ETN83AM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL (3AR,4S,7AR)-4-HYDROXY-4-(2-(3-(HYDROXYMETHYL)PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

Systematic Name

English

MAVOGLURANT METABOLITE M7

Common Name

English

Code System Code Type Description

PUBCHEM

155491078

Created by admin on Sat Dec 16 16:08:36 GMT 2023 , Edited by admin on Sat Dec 16 16:08:36 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

025ETN83AM

Created by admin on Sat Dec 16 16:08:36 GMT 2023 , Edited by admin on Sat Dec 16 16:08:36 GMT 2023

PRIMARY

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