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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H7NO
Molecular Weight 133.1473
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MANDELONITRILE, (+)-

SMILES

O[C@@H](C#N)C1=CC=CC=C1

InChI

InChIKey=NNICRUQPODTGRU-QMMMGPOBSA-N
InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H7NO
Molecular Weight 133.1473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous expression of an arylacetonitrilase from Pseudomonas fluorescens and a (S)-oxynitrilase from Manihot esculenta in Pichia pastoris for the synthesis of (S)-mandelic acid.
2008-08
Tissue-specific mRNA expression profiling in grape berry tissues.
2007-06-21
Synthesis and configurational assignment of the amino alcohol in the eastern fragment of the GE2270 antibiotics by regio- and stereoselective addition of 2-metalated 4-bromothiazoles to alpha-chiral electrophiles.
2006-06-09
Screening for new hydroxynitrilases from plants.
2005-12
A high-throughput amenable colorimetric assay for enantioselective screening of nitrilase-producing microorganisms using pH sensitive indicators.
2003-10
Development of a process model to describe the synthesis of (R)-mandelonitrile by Prunus amygdalus hydroxynitrile lyase in an aqueous-organic biphasic reactor.
2002-02-05
The active site of hydroxynitrile lyase from Prunus amygdalus: modeling studies provide new insights into the mechanism of cyanogenesis.
2002-02
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:41:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:41:15 GMT 2025
Record UNII
B46TK780ZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MANDELONITRILE, (+)-
Common Name English
(+)-(.ALPHA.R)-.ALPHA.-HYDROXYBENZENEACETONITRILE
Preferred Name English
(+)-.ALPHA.-MANDELONITRILE
Common Name English
MANDELONITRILE D-FORM [MI]
Common Name English
(+)-MANDELONITRILE
Common Name English
BENZENEACETONITRILE, .ALPHA.-HYDROXY-, (.ALPHA.R)-
Systematic Name English
(R)-HYDROXY(PHENYL)ACETONITRILE
Systematic Name English
MANDELONITRILE, D-
Common Name English
Code System Code Type Description
FDA UNII
B46TK780ZC
Created by admin on Mon Mar 31 22:41:15 GMT 2025 , Edited by admin on Mon Mar 31 22:41:15 GMT 2025
PRIMARY
CAS
10020-96-9
Created by admin on Mon Mar 31 22:41:15 GMT 2025 , Edited by admin on Mon Mar 31 22:41:15 GMT 2025
PRIMARY
MERCK INDEX
m7053
Created by admin on Mon Mar 31 22:41:15 GMT 2025 , Edited by admin on Mon Mar 31 22:41:15 GMT 2025
PRIMARY Merck Index
CHEBI
18450
Created by admin on Mon Mar 31 22:41:15 GMT 2025 , Edited by admin on Mon Mar 31 22:41:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID50429525
Created by admin on Mon Mar 31 22:41:15 GMT 2025 , Edited by admin on Mon Mar 31 22:41:15 GMT 2025
PRIMARY
PUBCHEM
9548674
Created by admin on Mon Mar 31 22:41:15 GMT 2025 , Edited by admin on Mon Mar 31 22:41:15 GMT 2025
PRIMARY