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Details

Stereochemistry RACEMIC
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXYLPHENYLGLYCOLIC ACID

SMILES

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

InChI

InChIKey=YTRNSQPXEDGWMR-UHFFFAOYSA-N
InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)

HIDE SMILES / InChI
Molecular Formula C14H18O3
Molecular Weight 234.2909
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
Oxybutynin chloride: alterations in drug delivery and improved therapeutic index.
2002 Apr
Separation of alpha-cyclohexylmandelic acid enantiomers using biphasic chiral recognition high-speed counter-current chromatography.
2010 Apr 30
Patents

Patents

04973592
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:05 UTC 2023
Edited
by admin
on Fri Dec 15 16:31:05 UTC 2023
Record UNII
QH762W903U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXYLPHENYLGLYCOLIC ACID
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-
Common Name English
NSC-93969
Code English
OXYBUTYNIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
OXYBUTYNIN RELATED COMPOUND A
USP   USP-RS  
Common Name English
.ALPHA.-CYCLOHEXYL-.ALPHA.-PHENYLGLYCOLIC ACID
Systematic Name English
NSC-28945
Code English
OXYBUTYNIN RELATED COMPOUND A [USP-RS]
Common Name English
.ALPHA.-PHENYLCYCLOHEXYLGLYCOLIC ACID
Systematic Name English
CPGA
Common Name English
.ALPHA.-CYCLOHEXYL-DL-MANDELIC ACID
Common Name English
RCC-32
Code English
OXYBUTYNIN RELATED COMPOUND A [USP IMPURITY]
Common Name English
HEXAHYDROBENZILIC ACID
Systematic Name English
2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETIC ACID
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-380-4
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
NSC
28945
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
RS_ITEM_NUM
1485114
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
CAS
4335-77-7
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
NSC
93969
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID50863369
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
PUBCHEM
97700
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
FDA UNII
QH762W903U
Created by admin on Fri Dec 15 16:31:05 UTC 2023 , Edited by admin on Fri Dec 15 16:31:05 UTC 2023
PRIMARY
Related Record Type Details
Structure of Oxybutynin
PARENT -> METABOLITE INACTIVE
MAJOR
Related Record Type Details
Structure of Oxybutynin Chloride
PARENT -> IMPURITY
UNSPECIFIED
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