GEMCABENE CALCIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H28O5.Ca
Molecular Weight	340.469
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GEMCABENE CALCIUM

Structure Search

SMILES

[Ca++].CC(C)(CCCCOCCCCC(C)(C)C([O-])=O)C([O-])=O

InChI

InChIKey=ZJKZKKPIKDNHDM-UHFFFAOYSA-L

InChI=1S/C16H30O5.Ca/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20;/h5-12H2,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C16H28O5
Molecular Weight	300.3905
Charge	-2
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 15:30:34 UTC 2023` Edited by `admin` on `Fri Dec 15 15:30:34 UTC 2023`
Record UNII	Z9AM8GST2F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GEMCABENE CALCIUM

Official Name

English

HEXANOIC ACID, 6,6'-OXYBIS(2,2-DIMETHYL-, CALCIUM SALT (1:1)

Common Name

English

PD-072953-0038

Code

English

GEMCABENE CALCIUM [USAN]

Common Name

English

CI-1027

Code

English

CALCIUM 6,6'-OXYBIS(2,2-DIMETHYLHEXANOATE)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C98150

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

Code System Code Type Description

CAS

209789-08-2

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

EPA CompTox

DTXSID00175181

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

PUBCHEM

157691

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

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SMS_ID

300000042560

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

USAN

NN-10

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

NCI_THESAURUS

C75255

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110686

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

FDA UNII

Z9AM8GST2F

Created by admin on Fri Dec 15 15:30:34 UTC 2023 , Edited by admin on Fri Dec 15 15:30:34 UTC 2023

PRIMARY

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