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Details

Stereochemistry RACEMIC
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL CYCLOHEXYLPHENYLGLYCOLATE

SMILES

COC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=SPTZOODMHSABLY-UHFFFAOYSA-N
InChI=1S/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3

HIDE SMILES / InChI
Molecular Formula C15H20O3
Molecular Weight 248.3175
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Oxygenation of methyl cyclohexylphenylglycolate, a constitutional unit of drugs, catalysed by iron(II) acetonitrile solvate.
1988 May
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:23:06 UTC 2023
Edited
by admin
on Sat Dec 16 08:23:06 UTC 2023
Record UNII
3B92G18V2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL CYCLOHEXYLPHENYLGLYCOLATE
Systematic Name English
METHYL ESTER OF PHENYLCYCLOHEXYLGLYCOLIC ACID
Common Name English
(±)-METHYL CYCLOHEXYLPHENYLGLYCOLATE
Systematic Name English
OXYBUTYNIN RELATED COMPOUND B [USP IMPURITY]
Common Name English
OXYBUTYNIN RELATED COMPOUND B
USP   USP-RS  
Common Name English
METHYL 2-HYDROXY-2-CYCLOHEXYL-2-PHENYLACETATE
Systematic Name English
METHYL .ALPHA.-CYCLOHEXYLMANDELATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, METHYL ESTER
Systematic Name English
OXYBUTYNIN RELATED COMPOUND B [USP-RS]
Common Name English
METHYL .ALPHA.-CYCLOHEXYL-.ALPHA.-PHENYLGLYCOLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
112035
Created by admin on Sat Dec 16 08:23:06 UTC 2023 , Edited by admin on Sat Dec 16 08:23:06 UTC 2023
PRIMARY
FDA UNII
3B92G18V2B
Created by admin on Sat Dec 16 08:23:06 UTC 2023 , Edited by admin on Sat Dec 16 08:23:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID60864261
Created by admin on Sat Dec 16 08:23:06 UTC 2023 , Edited by admin on Sat Dec 16 08:23:06 UTC 2023
PRIMARY
CAS
10399-13-0
Created by admin on Sat Dec 16 08:23:06 UTC 2023 , Edited by admin on Sat Dec 16 08:23:06 UTC 2023
PRIMARY
RS_ITEM_NUM
1485125
Created by admin on Sat Dec 16 08:23:06 UTC 2023 , Edited by admin on Sat Dec 16 08:23:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
233-862-3
Created by admin on Sat Dec 16 08:23:06 UTC 2023 , Edited by admin on Sat Dec 16 08:23:06 UTC 2023
PRIMARY
Related Record Type Details
Structure of Oxybutynin Chloride
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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