U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22F5N7O.H3O4P
Molecular Weight 605.4543
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Povorcitinib Phosphate

SMILES

OP(O)(O)=O.C[C@H](NC(=O)C1=CC(F)=C(C=C1F)N2CC(CC#N)(C2)N3C=C(C=N3)C4=C(C)NN=C4C)C(F)(F)F

InChI

InChIKey=XUQIWHXYCLHHCN-UQKRIMTDSA-N
InChI=1S/C23H22F5N7O.H3O4P/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28;1-5(2,3)4/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33);(H3,1,2,3,4)/t14-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Povorcitinib Phosphate
USAN  
Official Name English
(S)-4-(3-(CYANOMETHYL)-3-(3',5'-DIMETHYL-1H,1'H-(4,4'-BIPYRAZOL)-1-YL)AZETIDIN-1-YL)-2,5-DIFLUORO-N-(1,1,1-TRIFLUOROPROPAN-2-YL)BENZAMIDE PHOSPHATE
Systematic Name English
POVORCITINIB PHOSPHATE [USAN]
Common Name English
INCB-054707 PHOSPHATE
Code English
Benzamide, 4-[3-(cyanomethyl)-3-(3′,5′-dimethyl[4,4′-bi-1H-pyrazol]-1-yl)-1-azetidinyl]-2,5-difluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-, phosphate (1:1)
Systematic Name English
INCB054707 PHOSPHATE
Code English
Code System Code Type Description
SMS_ID
300000041210
Created by admin on Sat Dec 16 10:47:28 GMT 2023 , Edited by admin on Sat Dec 16 10:47:28 GMT 2023
PRIMARY
CAS
1637677-33-8
Created by admin on Sat Dec 16 10:47:28 GMT 2023 , Edited by admin on Sat Dec 16 10:47:28 GMT 2023
PRIMARY
FDA UNII
MLO3DS9COC
Created by admin on Sat Dec 16 10:47:28 GMT 2023 , Edited by admin on Sat Dec 16 10:47:28 GMT 2023
PRIMARY
USAN
LM-46
Created by admin on Sat Dec 16 10:47:28 GMT 2023 , Edited by admin on Sat Dec 16 10:47:28 GMT 2023
PRIMARY
PUBCHEM
86280671
Created by admin on Sat Dec 16 10:47:28 GMT 2023 , Edited by admin on Sat Dec 16 10:47:28 GMT 2023
PRIMARY
NCI_THESAURUS
C199093
Created by admin on Sat Dec 16 10:47:28 GMT 2023 , Edited by admin on Sat Dec 16 10:47:28 GMT 2023
PRIMARY