Sodium 1-(5-phenylpentyl)camphorate

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H29O4.Na
Molecular Weight	368.4423
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Sodium 1-(5-phenylpentyl)camphorate

Structure Search

SMILES

[Na+].CC1(C)[C@H](CC[C@@]1(C)C(=O)OCCCCCC2=CC=CC=C2)C([O-])=O

InChI

InChIKey=FOTIOERYLONYII-JKSHRDEXSA-M

InChI=1S/C21H30O4.Na/c1-20(2)17(18(22)23)13-14-21(20,3)19(24)25-15-9-5-8-12-16-10-6-4-7-11-16;/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,22,23);/q;+1/p-1/t17-,21+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C21H29O4
Molecular Weight	345.4526
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Wed Apr 02 19:49:28 GMT 2025` Edited by `admin` on `Wed Apr 02 19:49:28 GMT 2025`
Record UNII	3B8L67TVX5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLUBIGEN

Preferred Name

English

Sodium 1-(5-phenylpentyl)camphorate

Common Name

English

Sodium rel-1-(5-phenylpentyl) (1R,3S)-1,2,2-trimethyl-1,3-cyclopentanedicarboxylate

Systematic Name

English

1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 1-(5-phenylpentyl) ester, sodium salt, cis-

Systematic Name

English

Code System Code Type Description

FDA UNII

3B8L67TVX5

Created by admin on Wed Apr 02 19:49:28 GMT 2025 , Edited by admin on Wed Apr 02 19:49:28 GMT 2025

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CAS

60996-88-5

Created by admin on Wed Apr 02 19:49:28 GMT 2025 , Edited by admin on Wed Apr 02 19:49:28 GMT 2025

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Related Record Type Details


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1-(5-Phenylpentyl)camphoric acid

PARENT -> SALT/SOLVATE

Amount: