ISOBUCAINE HYDROCHLORIDE

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NCATS

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

Structure Search

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 `Mon Mar 31 17:37:04 GMT 2025` Edited by `admin` on `Mon Mar 31 17:37:04 GMT 2025`
Record UNII	0C78CV13XZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUCAINE HYDROCHLORIDE

Common Name

English

1-PROPANOL, 2-METHYL-2-((2-METHYLPROPYL)AMINO)-, BENZOATE (ESTER), HYDROCHLORIDE

Preferred 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 Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

Code System Code Type Description

CAS

3562-15-0

Created by admin on Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

PRIMARY

ChEMBL

CHEMBL2111069

Created by admin on Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

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EPA CompTox

DTXSID00956992

Created by admin on Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

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FDA UNII

0C78CV13XZ

Created by admin on Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

PRIMARY

NCI_THESAURUS

C75961

Created by admin on Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

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PUBCHEM

198942

Created by admin on Mon Mar 31 17:37:04 GMT 2025 , Edited by admin on Mon Mar 31 17:37:04 GMT 2025

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