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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N3O2
Molecular Weight 297.3517
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELSUBRUTINIB

SMILES

NC(=O)C1=C2NC=CC2=C(C=C1)[C@@H]3CCCN(C3)C(=O)C=C

InChI

InChIKey=UNHZLHSLZZWMNP-LLVKDONJSA-N
InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19N3O2
Molecular Weight 297.3517
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 Sat Dec 16 12:44:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:20 GMT 2023
Record UNII
1487U1Q3IQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELSUBRUTINIB
USAN   INN  
Official Name English
(S)-4-(1-ACRYLOYLPIPERIDIN-3-YL)-1H-INDOLE-7-CARBOXAMIDE
Systematic Name English
4-((3S)-1-(PROP-2-ENOYL)-PIPERIDIN-3-YL)-1H-INDOLE-7-CARBOXAMIDE
Systematic Name English
ELSUBRUTINIB [USAN]
Common Name English
elsubrutinib [INN]
Common Name English
ABBV105
Code English
1H-INDOLE-7-CARBOXAMIDE, 4-((3S)-1-(1-OXO-2-PROPEN-1-YL)-3-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
INN
11113
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
CAS
1953227-31-0
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
NO STRUCTURE GIVEN
NCI_THESAURUS
C175777
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
FDA UNII
1487U1Q3IQ
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
USAN
JK-89
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
PUBCHEM
117773770
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
CAS
1643570-24-4
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
SMS_ID
300000010820
Created by admin on Sat Dec 16 12:44:21 GMT 2023 , Edited by admin on Sat Dec 16 12:44:21 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
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ACTIVE MOIETY