CP-81054 SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H14NO5S3.Na
Molecular Weight	371.428
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@]12SC(S[C@@H]3CC[S@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O

InChI

InChIKey=MRHMJKHFABHUKB-PJCXSJFNSA-M

InChI=1S/C12H15NO5S3.Na/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6;/h5-7,10,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7+,10-,21+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C12H14NO5S3
Molecular Weight	348.438
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:32:25 GMT 2023` Edited by `admin` on `Sat Dec 16 16:32:25 GMT 2023`
Record UNII	043J6GH6BA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CP-81054 SODIUM

Common Name

English

CP 81054 SODIUM

Code

English

4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 6-(1-HYDROXYETHYL)-7-OXO-3-((TETRAHYDRO-1-OXIDO-3-THIENYL)THIO)-, MONOSODIUM SALT, (5R-(3(1S*,3R*),5.ALPHA.,6.ALPHA.(R*)))-

Systematic Name

English

Code System Code Type Description

CAS

112294-82-3

Created by admin on Sat Dec 16 16:32:25 GMT 2023 , Edited by admin on Sat Dec 16 16:32:25 GMT 2023

PRIMARY

PUBCHEM

23666242

Created by admin on Sat Dec 16 16:32:25 GMT 2023 , Edited by admin on Sat Dec 16 16:32:25 GMT 2023

PRIMARY

FDA UNII

043J6GH6BA

Created by admin on Sat Dec 16 16:32:25 GMT 2023 , Edited by admin on Sat Dec 16 16:32:25 GMT 2023

PRIMARY

Related Record Type Details


					R27UVM94J7

CP-81054

PARENT -> SALT/SOLVATE

Amount: