2-HYDROXYETHYL 2-AMINO-3-METHYLBUTANOATE 4-METHYLBENZENESULFONATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H15NO3.C7H8O3S
Molecular Weight	333.401
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXYETHYL 2-AMINO-3-METHYLBUTANOATE 4-METHYLBENZENESULFONATE, (S)-

Structure Search

SMILES

CC(C)[C@H](N)C(=O)OCCO.CC1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=KIQNQGPNCRYWKY-RGMNGODLSA-N

InChI=1S/C7H15NO3.C7H8O3S/c1-5(2)6(8)7(10)11-4-3-9;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,3-4,8H2,1-2H3;2-5H,1H3,(H,8,9,10)/t6-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Molecular Formula	C7H15NO3
Molecular Weight	161.1989
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:46:13 GMT 2025` Edited by `admin` on `Mon Mar 31 23:46:13 GMT 2025`
Record UNII	DX4L2PN5XF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYETHYL L-VALINATE PARA-TOLUENESULFONATE

Preferred Name

English

2-HYDROXYETHYL 2-AMINO-3-METHYLBUTANOATE 4-METHYLBENZENESULFONATE, (S)-

Systematic Name

English

(S)-2-HYDROXYETHYL 2-AMINO-3-METHYLBUTANOATE 4-METHYLBENZENESULFONATE

Systematic Name

English

L-VALINE, 2-HYDROXYETHYL ESTER, 4-METHYLBENZENESULFONATE (SALT)

Common Name

English

L-VALINE 2-HYDROXYETHYL ESTER TOSYLATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30858556

Created by admin on Mon Mar 31 23:46:13 GMT 2025 , Edited by admin on Mon Mar 31 23:46:13 GMT 2025

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FDA UNII

DX4L2PN5XF

Created by admin on Mon Mar 31 23:46:13 GMT 2025 , Edited by admin on Mon Mar 31 23:46:13 GMT 2025

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CAS

86150-61-0

Created by admin on Mon Mar 31 23:46:13 GMT 2025 , Edited by admin on Mon Mar 31 23:46:13 GMT 2025

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PUBCHEM

91824235

Created by admin on Mon Mar 31 23:46:13 GMT 2025 , Edited by admin on Mon Mar 31 23:46:13 GMT 2025

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