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Details

Stereochemistry ACHIRAL
Molecular Formula C15H23NO2.ClH
Molecular Weight 285.81
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUCAINE HYDROCHLORIDE

SMILES

Cl.CC(C)CNC(C)(C)COC(=O)C1=CC=CC=C1

InChI

InChIKey=HVBPUDDMBXSIGP-UHFFFAOYSA-N
InChI=1S/C15H23NO2.ClH/c1-12(2)10-16-15(3,4)11-18-14(17)13-8-6-5-7-9-13;/h5-9,12,16H,10-11H2,1-4H3;1H

HIDE SMILES / InChI

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

Molecular Formula C15H23NO2
Molecular Weight 249.3486
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:03:28 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:28 GMT 2023
Record UNII
0C78CV13XZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUCAINE HYDROCHLORIDE
Common Name English
1-PROPANOL, 2-METHYL-2-((2-METHYLPROPYL)AMINO)-, BENZOATE (ESTER), HYDROCHLORIDE
Common Name English
2-(Isobutylamino)-2-methyl-1-propanol benzoate (ester) hydrochloride
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C245
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
Code System Code Type Description
CAS
3562-15-0
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111069
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID00956992
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
PRIMARY
FDA UNII
0C78CV13XZ
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
PRIMARY
NCI_THESAURUS
C75961
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
PRIMARY
PUBCHEM
198942
Created by admin on Fri Dec 15 15:03:28 GMT 2023 , Edited by admin on Fri Dec 15 15:03:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE