Brigimadlin

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 Search

SMILES

[H][C@]12CC3=C4C=CC(C(O)=O)=C(C)C4=NN3[C@@]1([H])[C@H](C5=C(F)C(Cl)=CC=C5)[C@@]7(N2CC6CC6)C(=O)NC8=CC(Cl)=CC=C78

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

Molecular Formula	C31H25Cl2FN4O3
Molecular Weight	591.46
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:46:12 GMT 2023` Edited by `admin` on `Sat Dec 16 13:46:12 GMT 2023`
Record UNII	9A934ZAN94
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Brigimadlin

Official Name

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