1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID HYDROBROMIDE, (S)-

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H11NO2S2.BrH
Molecular Weight	286.21
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID HYDROBROMIDE, (S)-

Structure Search

SMILES

Br.[H][C@]1(CC2(CN1)SCCS2)C(O)=O

InChI

InChIKey=DXALUCGGSBGKIY-JEDNCBNOSA-N

InChI=1S/C7H11NO2S2.BrH/c9-6(10)5-3-7(4-8-5)11-1-2-12-7;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H11NO2S2
Molecular Weight	205.298
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:27 GMT 2023`
Record UNII	K405J5WI0V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID HYDROBROMIDE, (S)-

Systematic Name

English

1,4-DITHIA-7-AZASPIRO(4.4)NONANE-8-CARBOXYLIC ACID, HYDROBROMIDE (1:1), (8S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

K405J5WI0V

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

PRIMARY

CAS

75776-79-3

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

PRIMARY

PUBCHEM

12811393

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

PRIMARY

EPA CompTox

DTXSID70997175

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

PRIMARY

CAS

1219394-47-4

Created by admin on Fri Dec 15 15:40:27 GMT 2023 , Edited by admin on Fri Dec 15 15:40:27 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

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