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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H22F2N2O6S
Molecular Weight	540.535
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)-4,6-DIOXOSPIRO(2H-PYRIDO(1,2-B)PYRIDAZINE-3,1'-CYCLOPROPANE)-5-YL)OXYMETHYL METHYL CARBONATE

Structure Search

SMILES

COC(=O)OCOC1=C2N(C=CC1=O)N(CC3(CC3)C2=O)[C@@H]4C5=CC=CC=C5SCC6=C4C=CC(F)=C6F

InChI

InChIKey=XNCHLCOISMLPJG-QFIPXVFZSA-N

InChI=1S/C27H22F2N2O6S/c1-35-26(34)37-14-36-24-19(32)8-11-30-23(24)25(33)27(9-10-27)13-31(30)22-15-6-7-18(28)21(29)17(15)12-38-20-5-3-2-4-16(20)22/h2-8,11,22H,9-10,12-14H2,1H3/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H22F2N2O6S
Molecular Weight	540.535
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 17:55:37 UTC 2023` Edited by `admin` on `Sat Dec 16 17:55:37 UTC 2023`
Record UNII	SV42843XSX
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)-4,6-DIOXOSPIRO(2H-PYRIDO(1,2-B)PYRIDAZINE-3,1'-CYCLOPROPANE)-5-YL)OXYMETHYL METHYL CARBONATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

139338844

Created by admin on Sat Dec 16 17:55:37 UTC 2023 , Edited by admin on Sat Dec 16 17:55:37 UTC 2023

PRIMARY

CAS

2365473-17-0

Created by admin on Sat Dec 16 17:55:37 UTC 2023 , Edited by admin on Sat Dec 16 17:55:37 UTC 2023

PRIMARY

FDA UNII

SV42843XSX

Created by admin on Sat Dec 16 17:55:37 UTC 2023 , Edited by admin on Sat Dec 16 17:55:37 UTC 2023

PRIMARY

Related Record Type Details


					C1CIH3C1DH

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

METABOLITE ACTIVE -> PRODRUG

Amount: