(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	351.417
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

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

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	351.417
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 16:36:00 GMT 2023` Edited by `admin` on `Sat Dec 16 16:36:00 GMT 2023`
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 Dec 16 16:36:01 GMT 2023 , Edited by admin on Sat Dec 16 16:36:01 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

EK41CQ362G

Created by admin on Sat Dec 16 16:36:01 GMT 2023 , Edited by admin on Sat Dec 16 16:36:01 GMT 2023

PRIMARY

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