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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)-

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

Approval Year

Unknown
139594
Name Type Language
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
2-HYDROXYETHYL L-VALINATE PARA-TOLUENESULFONATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30858556
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
FDA UNII
DX4L2PN5XF
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
CAS
86150-61-0
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
PUBCHEM
91824235
Created by admin on Sat Dec 16 11:19:03 GMT 2023 , Edited by admin on Sat Dec 16 11:19:03 GMT 2023
PRIMARY
NIH
NCATS
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