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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO.ClH
Molecular Weight 227.73
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTEDRONE HYDROCHLORIDE

SMILES

Cl.CCCC(=O)C(NC)C1=CC=CC=C1

InChI

InChIKey=GRVMWEMTEXKSKY-UHFFFAOYSA-N
InChI=1S/C12H17NO.ClH/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10;/h4-6,8-9,12-13H,3,7H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C12H17NO
Molecular Weight 191.2695
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:00:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:28 GMT 2023
Record UNII
WLB4U5W9CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPENTEDRONE HYDROCHLORIDE
Common Name English
1-METHYLAMINO-1-PHENYLPENTAN-2-ONE HYDROCHLORIDE
Systematic Name English
1-(METHYLAMINO)-1-PHENYLPENTAN-2-ONE,MONOHYDROCHLORIDE
Systematic Name English
2-PENTANONE, 1-(METHYLAMINO)-1-PHENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1429402-13-0
Created by admin on Sat Dec 16 19:00:28 GMT 2023 , Edited by admin on Sat Dec 16 19:00:28 GMT 2023
PRIMARY
PUBCHEM
131848013
Created by admin on Sat Dec 16 19:00:28 GMT 2023 , Edited by admin on Sat Dec 16 19:00:28 GMT 2023
PRIMARY
FDA UNII
WLB4U5W9CC
Created by admin on Sat Dec 16 19:00:28 GMT 2023 , Edited by admin on Sat Dec 16 19:00:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE