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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18ClNO2.ClH
Molecular Weight 292.201
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALAPROCLATE HYDROCHLORIDE, (R)-

SMILES

Cl.C[C@@H](N)C(=O)OC(C)(C)CC1=CC=C(Cl)C=C1

InChI

InChIKey=OPAKSOWFKIUFNP-SBSPUUFOSA-N
InChI=1S/C13H18ClNO2.ClH/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10;/h4-7,9H,8,15H2,1-3H3;1H/t9-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H18ClNO2
Molecular Weight 255.741
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 Sat Dec 16 02:55:51 GMT 2023
Edited
by admin
on Sat Dec 16 02:55:51 GMT 2023
Record UNII
XJ50203OAO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALAPROCLATE HYDROCHLORIDE, (R)-
Common Name English
D-ALANINE, 2-(4-CHLOROPHENYL)-1,1-DIMETHYLETHYL ESTER, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
XJ50203OAO
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
CAS
66171-52-6
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
PUBCHEM
23622191
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID40984658
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER