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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H31F3N8O
Molecular Weight 576.6153
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAFETINIB

SMILES

CN(C)[C@H]1CCN(CC2=C(C=C(C=C2)C(=O)NC3=CC=C(C)C(NC4=NC=CC(=N4)C5=CN=CN=C5)=C3)C(F)(F)F)C1

InChI

InChIKey=ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H31F3N8O
Molecular Weight 576.6153
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 Fri Dec 15 17:13:35 UTC 2023
Edited
by admin
on Fri Dec 15 17:13:35 UTC 2023
Record UNII
NVW4Z03I9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAFETINIB
INN   MART.   USAN   WHO-DD  
USAN   INN  
Official Name English
N-(3-((4,5'-BIPYRIMIDIN)-2-YLAMINO)-4-METHYLPHENYL)-4-(((3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)BENZAMIDE
Systematic Name English
BAFETINIB [MART.]
Common Name English
Bafetinib [WHO-DD]
Common Name English
NS-187
Code English
N-(3-(4',5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL)-4-(((3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)BENZAMIDE
Systematic Name English
BAFETINIB [USAN]
Common Name English
INNO-406
Code English
BENZAMIDE, N-(3-((4,5'-BIPYRIMIDIN)-2-YLAMINO)-4-METHYLPHENYL)-4-(((3S)-3-(DIMETHYLAMINO)-1-PYRROLIDINYL)METHYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
CNS-9
Code English
bafetinib [INN]
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/10/731
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
FDA ORPHAN DRUG 233206
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID001006512
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
WIKIPEDIA
Bafetinib
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
USAN
TT-09
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
INN
8984
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
DRUG BANK
DB11851
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
SMS_ID
100000141657
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
ChEMBL
CHEMBL206834
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
FDA UNII
NVW4Z03I9B
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
EVMPD
SUB96036
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
CAS
859212-16-1
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
PUBCHEM
11387605
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
NCI_THESAURUS
C62516
Created by admin on Fri Dec 15 17:13:36 UTC 2023 , Edited by admin on Fri Dec 15 17:13:36 UTC 2023
PRIMARY
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ACTIVE MOIETY