CGP-20712A

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H25F3N4O5.CH4O3S
Molecular Weight	590.569
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CN1C=C(N=C1C2=CC=C(OCC(O)CNCCOC3=CC=C(O)C(=C3)C(N)=O)C=C2)C(F)(F)F

InChI

InChIKey=VFPOVCXWKBYDNF-UHFFFAOYSA-N

InChI=1S/C23H25F3N4O5.CH4O3S/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33;1-5(2,3)4/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C23H25F3N4O5
Molecular Weight	494.4636
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:04:07 UTC 2023` Edited by `admin` on `Sat Dec 16 08:04:07 UTC 2023`
Record UNII	CNU8DA2K9J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGP-20712A

Common Name

English

J252.868A

Code

English

BENZAMIDE, 2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)-, METHANESULFONATE (1:1)

Systematic Name

English

(±)-2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)-BENZAMIDE METHANESULFONATE SALT

Systematic Name

English

BENZAMIDE, 2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)-, (±)-, MONOMETHANESULFONATE (SALT)

Systematic Name

English

2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)BENZAMIDE METHANESULFONATE (1:1)

Systematic Name

English

2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)BENZAMIDE, METHANESULFONIC ACID

Systematic Name

English

CGP-20712 MESYLATE SALT

Code

English

CGP-20712A METHANESULFONATE

Common Name

English

CGP-20712A METHANESULFONATE SALT

Common Name

English

BENZAMIDE, 2-HYDROXY-5-(2-((2-HYDROXY-3-(4-(1-METHYL-4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2-YL)PHENOXY)PROPYL)AMINO)ETHOXY)-, MONOMETHANESULFONATE (SALT)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90434017

Created by admin on Sat Dec 16 08:04:07 UTC 2023 , Edited by admin on Sat Dec 16 08:04:07 UTC 2023

PRIMARY

CAS

105737-62-0

Created by admin on Sat Dec 16 08:04:07 UTC 2023 , Edited by admin on Sat Dec 16 08:04:07 UTC 2023

PRIMARY

PUBCHEM

10008573

Created by admin on Sat Dec 16 08:04:07 UTC 2023 , Edited by admin on Sat Dec 16 08:04:07 UTC 2023

PRIMARY

FDA UNII

CNU8DA2K9J

Created by admin on Sat Dec 16 08:04:07 UTC 2023 , Edited by admin on Sat Dec 16 08:04:07 UTC 2023

PRIMARY

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CGP-20712

PARENT -> SALT/SOLVATE

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ACTIVE MOIETY