HEXACYCLONATE SODIUM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H15O3.Na
Molecular Weight	194.2034
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXACYCLONATE SODIUM

Structure Search

SMILES

[Na+].OCC1(CC([O-])=O)CCCCC1

InChI

InChIKey=YPKROQTVZNJPNX-UHFFFAOYSA-M

InChI=1S/C9H16O3.Na/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h10H,1-7H2,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C9H15O3
Molecular Weight	171.2136
Charge	-1
Count

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

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 16:13:51 UTC 2023` Edited by `admin` on `Sat Dec 16 16:13:51 UTC 2023`
Record UNII	6XI46H39BZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXACYCLONATE SODIUM

Common Name

English

SODIUM 1-(HYDROXYMETHYL)CYCLOHEXANEACETATE

Systematic Name

English

1-(HYDROXYMETHYL)CYCLOHEXANEACETATE SODIUM SALT

Common Name

English

HEXACYCLONATE SODIUM [MI]

Common Name

English

SODIUM HEXACYCLONATE

Official Name

English

sodium hexacyclonate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47795

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

Code System Code Type Description

CHEBI

134805

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110826

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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MERCK INDEX

m233

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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Merck Index

MESH

C082676

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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DRUG CENTRAL

3459

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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EPA CompTox

DTXSID60220363

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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CAS

7009-49-6

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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SMS_ID

100000083531

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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FDA UNII

6XI46H39BZ

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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INN

947

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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NCI_THESAURUS

C83746

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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PUBCHEM

23675742

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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EVMPD

SUB10564MIG

Created by admin on Sat Dec 16 16:13:51 UTC 2023 , Edited by admin on Sat Dec 16 16:13:51 UTC 2023

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Related Record Type Details


					2K0FP9UB6A

HEXACYCLONIC ACID

PARENT -> SALT/SOLVATE