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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26F4N6O.2ClH
Molecular Weight 635.4835
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEROTRALSTAT HYDROCHLORIDE

SMILES

c1cc(cc(c1)[C@]([H])(c2ccc(c(c2)N=C(c3cc(C(F)(F)F)nn3-c4cccc(c4)CN)O)F)NCC5CC5)C#N.Cl.Cl

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

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C30H26F4N6O
Molecular Weight 562.5618
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 Jun 26 00:14:24 UTC 2021
Edited
by admin
on Sat Jun 26 00:14:24 UTC 2021
Record UNII
88SH1NBL2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEROTRALSTAT DIHYDROCHLORIDE
Preferred Name English
BEROTRALSTAT HYDROCHLORIDE
USAN  
Official Name English
BCX7353 DIHYDROCHLORIDE
Code English
BEROTRALSTAT HYDROCHLORIDE [USAN]
Common Name English
ORLADEYO
Brand Name English
BEROTRALSTAT HYDROCHLORIDE [WHO-DD]
Common 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
BCX-7353 DIHYDROCHLORIDE
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 607617
Created by admin on Sat Jun 26 00:14:24 UTC 2021 , Edited by admin on Sat Jun 26 00:14:24 UTC 2021
Code System Code Type Description
CAS
1809010-52-3
Created by admin on Sat Jun 26 00:14:24 UTC 2021 , Edited by admin on Sat Jun 26 00:14:24 UTC 2021
PRIMARY
FDA UNII
88SH1NBL2B
Created by admin on Sat Jun 26 00:14:24 UTC 2021 , Edited by admin on Sat Jun 26 00:14:24 UTC 2021
PRIMARY
NCI_THESAURUS
C171869
Created by admin on Sat Jun 26 00:14:24 UTC 2021 , Edited by admin on Sat Jun 26 00:14:24 UTC 2021
PRIMARY
PUBCHEM
139030242
Created by admin on Sat Jun 26 00:14:24 UTC 2021 , Edited by admin on Sat Jun 26 00:14:24 UTC 2021
PRIMARY
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