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

Structure Search

SMILES

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

InChI

InChIKey=KBILEEBMLWSVTP-GPMSIDNRSA-N

InChI=1S/C19H23NO4/c1-13-12-14(5-6-17(13)21)7-10-19(23)9-3-4-16-15(19)8-11-20(16)18(22)24-2/h5-6,12,15-16,21,23H,3-4,8-9,11H2,1-2H3/t15-,16-,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 16:12:29 UTC 2023` Edited by `admin` on `Sat Dec 16 16:12:29 UTC 2023`
Record UNII	Z5H0RDR1L2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

MAVOGLURANT METABOLITE M3

Common Name

English

Code System Code Type Description

PUBCHEM

155491051

Created by admin on Sat Dec 16 16:12:29 UTC 2023 , Edited by admin on Sat Dec 16 16:12:29 UTC 2023

PRIMARY

PUBCHEM

FDA UNII

Z5H0RDR1L2

Created by admin on Sat Dec 16 16:12:29 UTC 2023 , Edited by admin on Sat Dec 16 16:12:29 UTC 2023

PRIMARY

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