IVARMACITINIB SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H22N8O2S.H2O4S
Molecular Weight	512.563
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@@]12C[C@H](C[C@]1([H])CN(C2)C(=O)NC3=NC(OC)=NS3)N(C)C4=NC=NC5=C4C=CN5

InChI

InChIKey=XVVWQCLRGHYWPI-OOWXMNGOSA-N

InChI=1S/C18H22N8O2S.H2O4S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17;1-5(2,3)4/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27);(H2,1,2,3,4)/t10-,11+,12+;

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C18H22N8O2S
Molecular Weight	414.485
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 `Sat Dec 16 14:19:10 UTC 2023` Edited by `admin` on `Sat Dec 16 14:19:10 UTC 2023`
Record UNII	CN7B3Z5G04
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IVARMACITINIB SULFATE

Official Name

English

SHR0302 SULFATE

Code

English

(3AR,5S,6AS)-N-(3-METHOXY-1,2,4-THIADIAZOL-5-YL)-5-(METHYL (7H-PYRROLO (2,3-D)PYRIMIDIN-4-YL)AMINO) HEXAHYDROCYCLOPENTA(C)PYRROLE-2(1H)-CARBOXAMIDE, BISULFATE

Systematic Name

English

CYCLOPENTA(C)PYRROLE-2(1H)-CARBOXAMIDE, HEXAHYDRO-N-(3-METHOXY-1,2,4-THIADIAZOL-5-YL)-5-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-, (3A.ALPHA.,5.ALPHA.,6A.ALPHA.)-, SULFATE (1:1)

Systematic Name

English

SHR-0302 SULFATE

Code

English

IVARMACITINIB SULFATE [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C186397