G 1 (GPER AGONIST), (3AR,4S,9BS)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18BrNO3
Molecular Weight	412.277
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of G 1 (GPER AGONIST), (3AR,4S,9BS)-

Structure Search

SMILES

[H][C@@]12CC=C[C@]1([H])C3=CC(=CC=C3N[C@@H]2C4=C(Br)C=C5OCOC5=C4)C(C)=O

InChI

InChIKey=VHSVKVWHYFBIFJ-QTCYRWPVSA-N

InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18BrNO3
Molecular Weight	412.277
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 15:26:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:26:03 GMT 2023`
Record UNII	P4W25NL8MY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

G 1 (GPER AGONIST), (3AR,4S,9BS)-

Common Name

English

ETHANONE, 1-((3AR,4S,9BS)-4-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA(C)QUINOLIN-8-YL)-

Systematic Name

English

1-((3AR,4S,9BS)-4-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA(C)QUINOLIN-8-YL)ETHANONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

16112908

Created by admin on Sat Dec 16 15:26:03 GMT 2023 , Edited by admin on Sat Dec 16 15:26:03 GMT 2023

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CAS

925419-55-2

Created by admin on Sat Dec 16 15:26:03 GMT 2023 , Edited by admin on Sat Dec 16 15:26:03 GMT 2023

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FDA UNII

P4W25NL8MY

Created by admin on Sat Dec 16 15:26:03 GMT 2023 , Edited by admin on Sat Dec 16 15:26:03 GMT 2023

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