U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO5
Molecular Weight 319.353
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-HYDROXYCOCAINE

SMILES

CN1[C@]2([H])CC[C@]1([H])[C@]([H])([C@]([H])(C2)OC(=O)c3ccccc3O)C(=O)OC

InChI

InChIKey=PEISRHQJLATJPJ-WAZAZEMKSA-N
InChI=1S/C17H21NO5/c1-18-10-7-8-12(18)15(17(21)22-2)14(9-10)23-16(20)11-5-3-4-6-13(11)19/h3-6,10,12,14-15,19H,7-9H2,1-2H3/t10-,12-,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO5
Molecular Weight 319.353
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:48:00 UTC 2021
Edited
by admin
on Fri Jun 25 20:48:00 UTC 2021
Record UNII
K8J4W658QK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-HYDROXYCOCAINE
Common Name English
SALICYLMETHYLECGONINE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-((2-HYDROXYBENZOYL)OXY)-8-METHYL-, METHYL ESTER, (1R,2R,3S,5S)-
Systematic Name English
(1R,2R,3S,5S)-3-((2-HYDROXYBENZOYL)OXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLICACID,METHYLESTER
Systematic Name English
2'-HYDROXYBENZOYLECGONINE METHYL ESTER
Common Name English
Code System Code Type Description
CAS
89339-17-3
Created by admin on Fri Jun 25 20:48:00 UTC 2021 , Edited by admin on Fri Jun 25 20:48:00 UTC 2021
PRIMARY
FDA UNII
K8J4W658QK
Created by admin on Fri Jun 25 20:48:00 UTC 2021 , Edited by admin on Fri Jun 25 20:48:00 UTC 2021
PRIMARY
PUBCHEM
71461615
Created by admin on Fri Jun 25 20:48:00 UTC 2021 , Edited by admin on Fri Jun 25 20:48:00 UTC 2021
PRIMARY
Related Record Type Details
TRANSPORTER->LIGAND
TARGET->ANALOGUE
TRANSPORTER->LIGAND
PARENT -> DERIVATIVE
TRANSPORTER->LIGAND
Related Record Type Details
PARENT -> METABOLITE ACTIVE