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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26F4N6O
Molecular Weight 562.5618
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEROTRALSTAT

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

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 562.5618
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 02:01:10 UTC 2021
Edited
by admin
on Sat Jun 26 02:01:10 UTC 2021
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
CAS
1809010-50-1
Created by admin on Sat Jun 26 02:01:10 UTC 2021 , Edited by admin on Sat Jun 26 02:01:10 UTC 2021
PRIMARY
FDA UNII
XZA0KB1BDQ
Created by admin on Sat Jun 26 02:01:10 UTC 2021 , Edited by admin on Sat Jun 26 02:01:10 UTC 2021
PRIMARY
INN
10907
Created by admin on Sat Jun 26 02:01:10 UTC 2021 , Edited by admin on Sat Jun 26 02:01:10 UTC 2021
PRIMARY
PUBCHEM
137528262
Created by admin on Sat Jun 26 02:01:10 UTC 2021 , Edited by admin on Sat Jun 26 02:01:10 UTC 2021
PRIMARY
NCI_THESAURUS
C169808
Created by admin on Sat Jun 26 02:01:10 UTC 2021 , Edited by admin on Sat Jun 26 02:01:10 UTC 2021
PRIMARY
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