NEZULCITINIB MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37N7O2.H2O
Molecular Weight	545.6758
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.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=BFVMUHQKVQWSOG-YCBFMBTMSA-N

InChI=1S/C30H37N7O2.H2O/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);1H2/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

Molecular Formula	H2O
Molecular Weight	18.0153
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 16:43:13 GMT 2023` Edited by `admin` on `Sat Dec 16 16:43:13 GMT 2023`
Record UNII	T0NP5I2712
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEZULCITINIB MONOHYDRATE

Common Name

English

TD-0903 MONOHYDRATE

Code

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)-, HYDRATE (1:1)

Systematic Name

English

THRX-136377 MONOHYDRATE

Code

English

Code System Code Type Description

CAS

2580073-90-9

Created by admin on Sat Dec 16 16:43:13 GMT 2023 , Edited by admin on Sat Dec 16 16:43:13 GMT 2023

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PUBCHEM

155928999

Created by admin on Sat Dec 16 16:43:13 GMT 2023 , Edited by admin on Sat Dec 16 16:43:13 GMT 2023

PRIMARY

FDA UNII

T0NP5I2712

Created by admin on Sat Dec 16 16:43:13 GMT 2023 , Edited by admin on Sat Dec 16 16:43:13 GMT 2023

PRIMARY

SMS_ID

300000023360

Created by admin on Sat Dec 16 16:43:13 GMT 2023 , Edited by admin on Sat Dec 16 16:43:13 GMT 2023

PRIMARY

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