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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H25Cl2FN4O3
Molecular Weight 591.46
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Brigimadlin

SMILES

CC1=C(C=CC2=C3C[C@H]4[C@H]([C@H](C5=CC=CC(Cl)=C5F)[C@@]7(N4CC6CC6)C(=O)NC8=CC(Cl)=CC=C78)N3N=C12)C(O)=O

InChI

InChIKey=AMTXDBGKYPDTTA-SJVQGLCSSA-N
InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BI 907828 [WHO-DD]
Preferred Name English
Brigimadlin
USAN   INN  
Official Name English
Spiro[3H-indole-3,2?(1?H)-pyrrolo[2?,3?:4,5]pyrrolo[1,2-b]indazole]-7?-carboxylic acid, 6-chloro-3?-(3-chloro-2-fluorophenyl)-1?-(cyclopropylmethyl)-1,2,3?,3?a,10?,10?a-hexahydro-6?-methyl-2-oxo-, (2?S,3?S,3?aS,10?aS)-
Systematic Name English
BI-907828
Code English
BRIGMADLIN [USAN]
Common Name English
BI907828
Code English
(3S,3'S,3a'S,10a'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-1'-(cyclopropylmethyl)-6'-methyl-2-oxo-1,2,3',3a',10',10a'-hexahydro- 1'H-spiro[indole-3,2'-pyrrolo[2',3':4,5]pyrrolo[1,2-b]indazole]-7'- carboxylic acid
Systematic Name English
brigimadlin [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 885622
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
Code System Code Type Description
PUBCHEM
129264140
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY
SMS_ID
300000033365
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY
INN
12473
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY
CAS
2095116-40-6
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY
USAN
MN-37
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY
NCI_THESAURUS
C156709
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY
FDA UNII
9A934ZAN94
Created by admin on Tue Apr 01 21:20:09 GMT 2025 , Edited by admin on Tue Apr 01 21:20:09 GMT 2025
PRIMARY