NEZULCITINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37N7O2
Molecular Weight	527.6605
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C(C=CC(O)=C1)C2=CC=C3C(NN=C3C4=NC5=C(C[C@H](N(C5)C(C)C)C(=O)N6CC(C6)N(C)C)N4)=C2

InChI

InChIKey=VQIIUJSNIKEMCK-MHZLTWQESA-N

InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H37N7O2
Molecular Weight	527.6605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:10:25 UTC 2023` Edited by `admin` on `Sat Dec 16 16:10:25 UTC 2023`
Record UNII	CXA4I8AH6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEZULCITINIB

Official Name

English

Nezulcitinib [WHO-DD]

Common Name

English

TD-0903

Code

English

NEZULCITINIB [USAN]

Common Name

English

(S)-(3-(DIMETHYLAMINO)AZETIDIN-1-YL)(2-(6-(2-ETHYL-4-HYDROXYPHENYL)-1H-INDAZOL-3-YL)-5-ISOPROPYL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO(4,5-C)PYRIDIN-6-YL)METHANONE

Systematic Name

English

METHANONE, (3-(DIMETHYLAMINO)-1-AZETIDINYL)((6S)-2-(6-(2-ETHYL-4-HYDROXYPHENYL)-1H-INDAZOL-3-YL)-4,5,6,7-TETRAHYDRO-5-(1-METHYLETHYL)-3H-IMIDAZO(4,5-C)PYRIDIN-6-YL)-

Systematic Name

English

nezulcitinib [INN]

Common Name

English

THRX-136377

Code

English

(3-(DIMETHYLAMINO)AZETIDIN-1-YL)((6S)-2-(6-(2-ETHYL-4-HYDROXYPHENYL)-1H-INDAZOL-3-YL)-5-(PROPAN-2-YL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO(4,5-C)PYRIDIN-6-YL)METHANONE

Systematic Name

English

Code System Code Type Description

CAS

2412496-23-0