1-((11S)-7,8-DIFLUORO-6,11-DIHYDROBENZO(C)(1)BENZOTHIEPIN-11-YL)-5-HYDROXYSPIRO(2H-PYRIDO(1,2-B)PYRIDAZINE-3,1'-CYCLOPROPANE)-4,6-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H18F2N2O3S
Molecular Weight	452.473
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((11S)-7,8-DIFLUORO-6,11-DIHYDROBENZO(C)(1)BENZOTHIEPIN-11-YL)-5-HYDROXYSPIRO(2H-PYRIDO(1,2-B)PYRIDAZINE-3,1'-CYCLOPROPANE)-4,6-DIONE

Structure Search

SMILES

[H][C@@]4(N1CC2(CC2)C(=O)C3=C(O)C(=O)C=CN13)C5=CC=CC=C5SCC6=C(F)C(F)=CC=C46

InChI

InChIKey=LHLSUAYDUCYUTC-FQEVSTJZSA-N

InChI=1S/C24H18F2N2O3S/c25-16-6-5-13-15(19(16)26)11-32-18-4-2-1-3-14(18)20(13)28-12-24(8-9-24)23(31)21-22(30)17(29)7-10-27(21)28/h1-7,10,20,30H,8-9,11-12H2/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H18F2N2O3S
Molecular Weight	452.473
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 Dec 16 17:37:46 UTC 2023` Edited by `admin` on `Sat Dec 16 17:37:46 UTC 2023`
Record UNII	C1CIH3C1DH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-((11S)-7,8-DIFLUORO-6,11-DIHYDROBENZO(C)(1)BENZOTHIEPIN-11-YL)-5-HYDROXYSPIRO(2H-PYRIDO(1,2-B)PYRIDAZINE-3,1'-CYCLOPROPANE)-4,6-DIONE

Systematic Name

English

SPIRO(CYCLOPROPANE-1,3'-(3H)PYRIDO(1,2-B)PYRIDAZINE)-4',6'-DIONE, 1'-((11S)-7,8-DIFLUORO-6,11-DIHYDRODIBENZO(B,E)THIEPIN-11-YL)-1',2'-DIHYDRO-5'-HYDROXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

146304678

Created by admin on Sat Dec 16 17:37:47 UTC 2023 , Edited by admin on Sat Dec 16 17:37:47 UTC 2023

PRIMARY

CAS

2408318-14-7

Created by admin on Sat Dec 16 17:37:47 UTC 2023 , Edited by admin on Sat Dec 16 17:37:47 UTC 2023

PRIMARY

FDA UNII