F-15845

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO2S2.BrH
Molecular Weight	456.46
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.COC1=CC=CC=C1SC[C@@H](C)CN[C@@H]2COC3=CC=CC=C3SC2

InChI

InChIKey=CUWFVJMNULNBTG-IDVLALEDSA-N

InChI=1S/C20H25NO2S2.BrH/c1-15(13-24-19-9-5-3-7-17(19)22-2)11-21-16-12-23-18-8-4-6-10-20(18)25-14-16;/h3-10,15-16,21H,11-14H2,1-2H3;1H/t15-,16+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C20H25NO2S2
Molecular Weight	375.548
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:59:12 UTC 2023` Edited by `admin` on `Sat Dec 16 10:59:12 UTC 2023`
Record UNII	3VKL9K971D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

F-15845

Common Name

English

2H-1,5-BENZOXATHIEPIN-3-AMINE, 3,4-DIHYDRO-N-((2S)-3-((2-METHOXYPHENYL)THIO)-2-METHYLPROPYL)-, HYDROBROMIDE, (3R)-

Systematic Name

English

(-)-F-15845

Common Name

English

(-)-(3R)-N-((2S)-3-((2-METHOXYPHENYL)SULFANYL)-2-METHYLPROPYL)-3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE HYDROBROMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

3VKL9K971D

Created by admin on Sat Dec 16 10:59:12 UTC 2023 , Edited by admin on Sat Dec 16 10:59:12 UTC 2023

PRIMARY

CAS

866760-23-8

Created by admin on Sat Dec 16 10:59:12 UTC 2023 , Edited by admin on Sat Dec 16 10:59:12 UTC 2023

PRIMARY

PUBCHEM

72941926

Created by admin on Sat Dec 16 10:59:12 UTC 2023 , Edited by admin on Sat Dec 16 10:59:12 UTC 2023

PRIMARY

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