SODIUM N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-BETA-ALANINATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H32NO5.Na
Molecular Weight	365.4401
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-BETA-ALANINATE

Structure Search

SMILES

[Na+].CCCCCCCCCCCC(=O)N(CCC(O)=O)CCC([O-])=O

InChI

InChIKey=ATVSSLLGMPQIQW-UHFFFAOYSA-M

InChI=1S/C18H33NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17(21)22)15-13-18(23)24;/h2-15H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C18H32NO5
Molecular Weight	342.4504
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
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 `Tue Apr 01 19:13:43 GMT 2025` Edited by `admin` on `Tue Apr 01 19:13:43 GMT 2025`
Record UNII	B80PV29PRU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-ALANINE, N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-, SODIUM SALT (1:1)

Preferred Name

English

SODIUM N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-BETA-ALANINATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

56841523

Created by admin on Tue Apr 01 19:13:43 GMT 2025 , Edited by admin on Tue Apr 01 19:13:43 GMT 2025

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FDA UNII

B80PV29PRU

Created by admin on Tue Apr 01 19:13:43 GMT 2025 , Edited by admin on Tue Apr 01 19:13:43 GMT 2025

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EPA CompTox

DTXSID30219062

Created by admin on Tue Apr 01 19:13:43 GMT 2025 , Edited by admin on Tue Apr 01 19:13:43 GMT 2025

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ECHA (EC/EINECS)

273-681-7

Created by admin on Tue Apr 01 19:13:43 GMT 2025 , Edited by admin on Tue Apr 01 19:13:43 GMT 2025

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CAS

69003-47-0

Created by admin on Tue Apr 01 19:13:43 GMT 2025 , Edited by admin on Tue Apr 01 19:13:43 GMT 2025

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