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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H23N5O2S.C4H4O4
Molecular Weight 453.513
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OCLACITINIB MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)C2=NC=NC3=C2C=CN3

InChI

InChIKey=VQIGDTLRBSNOBV-VQIYXBGXSA-N
InChI=1S/C15H23N5O2S.C4H4O4/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15;5-3(6)1-2-4(7)8/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12-;

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C15H23N5O2S
Molecular Weight 337.44
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Tue Oct 22 01:48:51 UTC 2019
Edited
by admin
on Tue Oct 22 01:48:51 UTC 2019
Record UNII
VON733L42A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCLACITINIB MALEATE
USAN  
USAN  
Official Name English
PF 03394197-11
Code English
PF-03394197-11
Code English
OCLACITINIB MALEATE (EMA EPAR: VETERINARY)
Common Name English
OCLACITINIB MALEATE [USAN]
Common Name English
N-METHYL(TRANS-4-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)CYCLOHEXYL) METHANESULFONAMIDE (2Z)-2-BUTENEDIOATE
Systematic Name English
OCLACITINIB MALEATE [MI]
Common Name English
APOQUEL
Brand Name English
Classification Tree Code System Code
EMA VETERINARY ASSESSMENT REPORTS APOQUEL [AUTHORISED]
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
Code System Code Type Description
PUBCHEM
44631937
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
PRIMARY
CAS
1640292-55-2
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
ALTERNATIVE
ChEMBL
CHEMBL2103874
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
PRIMARY
CAS
1208319-27-0
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
PRIMARY
MERCK INDEX
M11753
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
PRIMARY
RXCUI
1487005
Created by admin on Tue Oct 22 01:48:51 UTC 2019 , Edited by admin on Tue Oct 22 01:48:51 UTC 2019
PRIMARY RxNorm
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE