SODIUM ((1SR,4SR,E)-3-(4-(HYDROXYMETHYL)BENZYLIDENE)-7,7-DIMETHYL-2-OXOBICYCLO(2.2.1)HEPTAN-1-YL)METHANESULFONATE

Details

Stereochemistry	MIXED
Molecular Formula	C18H21O5S.Na
Molecular Weight	372.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SODIUM ((1SR,4SR,E)-3-(4-(HYDROXYMETHYL)BENZYLIDENE)-7,7-DIMETHYL-2-OXOBICYCLO(2.2.1)HEPTAN-1-YL)METHANESULFONATE

Structure Search

SMILES

[Na+].CC1(C)C2CCC1(CS([O-])(=O)=O)C(=O)\C2=C\C3=CC=C(CO)C=C3

InChI

InChIKey=CKGPMIUBMKQHEH-KYIGKLDSSA-M

InChI=1S/C18H22O5S.Na/c1-17(2)15-7-8-18(17,11-24(21,22)23)16(20)14(15)9-12-3-5-13(10-19)6-4-12;/h3-6,9,15,19H,7-8,10-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/b14-9+;

HIDE SMILES / InChI

Molecular Formula	C18H21O5S
Molecular Weight	349.421
Charge	-1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:32:02 GMT 2023` Edited by `admin` on `Sat Dec 16 05:32:02 GMT 2023`
Record UNII	7C57O1TDMC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM ((1SR,4SR,E)-3-(4-(HYDROXYMETHYL)BENZYLIDENE)-7,7-DIMETHYL-2-OXOBICYCLO(2.2.1)HEPTAN-1-YL)METHANESULFONATE

Systematic Name

English

ECAMSULE RELATED COMPOUND E [USP IMPURITY]

Common Name

English

ECAMSULE RELATED COMPOUND E [USP-RS]

Common Name

English

ECAMSULE RELATED COMPOUND E RS

Common Name

English

SODIUM (3-(4-(HYDROXYMETHYL)BENZYLIDENE)-7,7-DIMETHYL-2-OXOBICYCLO(2.2.1)HEPTAN-1-YL)METHANESULFONATE, (±)-(E)-

Common Name

English

Code System Code Type Description

PUBCHEM

139032934

Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023

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FDA UNII

7C57O1TDMC

Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023

PRIMARY

RS_ITEM_NUM

1231659

Created by admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023

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