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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26F4N6O
Molecular Weight 562.5607
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEROTRALSTAT

SMILES

NCC1=CC(=CC=C1)N2N=C(C=C2C(=O)NC3=CC(=CC=C3F)[C@H](NCC4CC4)C5=CC=CC(=C5)C#N)C(F)(F)F

InChI

InChIKey=UXNXMBYCBRBRFD-MUUNZHRXSA-N
InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H26F4N6O
Molecular Weight 562.5607
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 13:47:03 GMT 2023
Edited
by admin
on Sat Dec 16 13:47:03 GMT 2023
Record UNII
XZA0KB1BDQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEROTRALSTAT
USAN   INN  
Official Name English
BCX-7353
Code English
BEROTRALSTAT [USAN]
Common Name English
berotralstat [INN]
Common Name English
1H-PYRAZOLE-5-CARBOXAMIDE, 1-(3-(AMINOMETHYL)PHENYL)-N-(5-((R)-(3-CYANOPHENYL)((CYCLOPROPYLMETHYL)AMINO)METHYL)-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
Berotralstat [WHO-DD]
Common Name English
1-[3-(Aminomethyl)phenyl]-N-(5-{(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Systematic Name English
BCX7353
Code English
Code System Code Type Description
RXCUI
2467540
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
CAS
1809010-50-1
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
FDA UNII
XZA0KB1BDQ
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID401336676
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
SMS_ID
300000005926
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
INN
10907
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
DAILYMED
XZA0KB1BDQ
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
PUBCHEM
137528262
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
USAN
GH-56
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
NCI_THESAURUS
C169808
Created by admin on Sat Dec 16 13:47:05 GMT 2023 , Edited by admin on Sat Dec 16 13:47:05 GMT 2023
PRIMARY
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