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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26F4N6O.2ClH
Molecular Weight 635.483
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEROTRALSTAT HYDROCHLORIDE

SMILES

Cl.Cl.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=XFZLBLTUANGZBD-QDSLRZTOSA-N
InChI=1S/C30H26F4N6O.2ClH/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);2*1H/t28-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BEROTRALSTAT DIHYDROCHLORIDE
Preferred Name English
BEROTRALSTAT HYDROCHLORIDE
USAN  
Official Name English
BEROTRALSTAT HYDROCHLORIDE [ORANGE BOOK]
Common Name English
BCX7353 DIHYDROCHLORIDE
Code English
BEROTRALSTAT HYDROCHLORIDE [USAN]
Common Name English
ORLADEYO
Brand Name English
(R)-1-(3-(AMINOMETHYL) PHENYL)-N-(5-((3-CYANOPHENYL)(CYCLOPROPYLMETHYLAMINO)METHYL)-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE DIHYDROCHLORIDE
Common Name English
1H-PYRAZOLE-5-CARBOXAMIDE, 1-(3-(AMINOMETHYL)PHENYL)-N-(5-((3-CYANOPHENYL)((CYCLOPROPYLMETHYL)AMINO)METHYL)-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:2), (+)-
Systematic Name English
BEROTRALSTAT HYDROCHLORIDE [JAN]
Common Name English
BCX-7353 DIHYDROCHLORIDE
Code English
Berotralstat dihydrochloride [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 607617
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID101336677
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
KEGG
D11674
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
CAS
1809010-52-3
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
FDA UNII
88SH1NBL2B
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
USAN
GH-57
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
NCI_THESAURUS
C171869
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
SMS_ID
300000005362
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
RXCUI
2467541
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
PUBCHEM
139030242
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY
DAILYMED
88SH1NBL2B
Created by admin on Sat Dec 16 13:47:03 GMT 2023 , Edited by admin on Sat Dec 16 13:47:03 GMT 2023
PRIMARY