Londamocitinib Xinafoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31F2N7O4S.C11H8O3
Molecular Weight	787.831
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C2C=CC=CC2=C1O.COC[C@@H](N3CCN(C)CC3)C(=O)NC4=CC=CC5=C4NC=C5C6=C(F)C=NC(NC7=CC=CC(=C7F)S(C)(=O)=O)=N6

InChI

InChIKey=JMNSDNIERLEGKL-VZYDHVRKSA-N

InChI=1S/C28H31F2N7O4S.C11H8O3/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35);1-6,12H,(H,13,14)/t22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C11H8O3
Molecular Weight	188.1794
Charge	0
Count

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

Molecular Formula	C28H31F2N7O4S
Molecular Weight	599.652
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 `Wed Apr 02 20:10:57 GMT 2025` Edited by `admin` on `Wed Apr 02 20:10:57 GMT 2025`
Record UNII	BF6ZEE76XX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Londamocitinib Xinafoate

Official Name

English

2-Naphthalenecarboxylic acid, 1-hydroxy-, compd. with (?R)-N-[3-[5-fluoro-2-[[2-fluoro-3-(methylsulfonyl)phenyl]amino]-4-pyrimidinyl]-1H-indol-7-yl]-?-(methoxymethyl)-4-methyl-1-piperazineacetamide (1:1)

Preferred Name

English

(2R)-N-(3-{5-fluoro-2-[2-fluoro-3-(methanesulfonyl)anilino]pyrimidin-4-yl}-1H-indol-7-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide—1-hydroxynaphthalene-2-carboxylic acid (1:1)

Systematic Name

English

AZD4604 xinafoate

Code

English

LONDAMOCITINIB XINAFOATE [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C213392