(4-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-METHYL-PHENYL) HYDROGEN SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21NO5S
Molecular Weight	351.4191
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-METHYL-PHENYL) HYDROGEN SULFATE

Structure Search

SMILES

Cc1cc(ccc1OS(=O)(=O)O)C#C[C@@]2(CCC[C@]3([H])[C@@]2([H])CCN3)O

InChI

InChIKey=COZPVVMUYZSORG-BFYDXBDKSA-N

InChI=1S/C17H21NO5S/c1-12-11-13(4-5-16(12)23-24(20,21)22)6-9-17(19)8-2-3-15-14(17)7-10-18-15/h4-5,11,14-15,18-19H,2-3,7-8,10H2,1H3,(H,20,21,22)/t14-,15-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H21NO5S
Molecular Weight	351.4191
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 Jun 26 14:50:39 UTC 2021` Edited by `admin` on `Sat Jun 26 14:50:39 UTC 2021`
Record UNII	EK41CQ362G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-METHYL-PHENYL) HYDROGEN SULFATE

Systematic Name

English

MAVOGLURANT METABOLITE M14

Common Name

English

Code System Code Type Description

PUBCHEM

155491215

Created by admin on Sat Jun 26 14:50:39 UTC 2021 , Edited by admin on Sat Jun 26 14:50:39 UTC 2021

PRIMARY

PUBCHEM

FDA UNII

EK41CQ362G

Created by admin on Sat Jun 26 14:50:39 UTC 2021 , Edited by admin on Sat Jun 26 14:50:39 UTC 2021

PRIMARY

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