AMG-076

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H33F3N2O2.C6H6O3S
Molecular Weight	620.723
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.[H][C@]23CCN(CCC4(CCCCC4)C(O)=O)C[C@]2([H])[C@@H](C)C5=C(C3)NC6=C5C=C(C=C6)C(F)(F)F

InChI

InChIKey=IBDOVKSLMMFQPJ-IUPOGUASSA-N

InChI=1S/C26H33F3N2O2.C6H6O3S/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22;7-10(8,9)6-4-2-1-3-5-6/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33);1-5H,(H,7,8,9)/t16-,17-,20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H33F3N2O2
Molecular Weight	462.5476
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 `Fri Dec 15 16:45:45 GMT 2023` Edited by `admin` on `Fri Dec 15 16:45:45 GMT 2023`
Record UNII	OGB0T3AG23
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMG-076

Common Name

English

AMG 076

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 1-(2-((4AR,11R,11AS)-1,3,4,4A,5,6,11,11A-OCTAHYDRO-11-METHYL-9-(TRIFLUOROMETHYL)-2H-PYRIDO(4,3-B)CARBAZOL-2-YL)ETHYL)-, BENZENESULFONATE (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

OGB0T3AG23

Created by admin on Fri Dec 15 16:45:45 GMT 2023 , Edited by admin on Fri Dec 15 16:45:45 GMT 2023

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PUBCHEM

23642854

Created by admin on Fri Dec 15 16:45:45 GMT 2023 , Edited by admin on Fri Dec 15 16:45:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID20142976

Created by admin on Fri Dec 15 16:45:45 GMT 2023 , Edited by admin on Fri Dec 15 16:45:45 GMT 2023

PRIMARY

CAS

1001438-96-5

Created by admin on Fri Dec 15 16:45:45 GMT 2023 , Edited by admin on Fri Dec 15 16:45:45 GMT 2023

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Related Record Type Details


					685928Z18A

BENZENESULFONIC ACID

PARENT -> SALT/SOLVATE