DIAMOCAINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H37N3O
Molecular Weight	395.5808
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIAMOCAINE

Structure Search

SMILES

CCN(CC)CCOC1(CCN(CCNC2=CC=CC=C2)CC1)C3=CC=CC=C3

InChI

InChIKey=JSELIWGNAHBPAE-UHFFFAOYSA-N

InChI=1S/C25H37N3O/c1-3-27(4-2)21-22-29-25(23-11-7-5-8-12-23)15-18-28(19-16-25)20-17-26-24-13-9-6-10-14-24/h5-14,26H,3-4,15-22H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C25H37N3O
Molecular Weight	395.5808
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://apps.who.int/iris/bitstream/handle/10665/68742/WHO_EDM_QSM_2004.5.pdf | DOI: 10.1093/ajhp/27.4.320

Diamocaine is the local anesthetic.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:16:53 GMT 2023` Edited by `admin` on `Fri Dec 15 15:16:53 GMT 2023`
Record UNII	I3I4XCR66J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DIAMOCAINE

Official Name

English

diamocaine [INN]

Common Name

English

1-(2-ANILINOETHYL)-4-(2-(DIETHYLAMINO)ETHOXY)-4-PHENYLPIPERIDINE

Systematic Name

English

4-(2-(DIETHYLAMINO)ETHOXY)-N,4-DIPHENYL-1-PIPERIDINEETHANAMINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C245

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

Code System Code Type Description

PUBCHEM

31932

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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FDA UNII

I3I4XCR66J

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

PRIMARY

ChEMBL

CHEMBL2110911

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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SMS_ID

100000082884

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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INN

2538

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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CAS

27112-37-4

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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EPA CompTox

DTXSID30181573

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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EVMPD

SUB07064MIG

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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NCI_THESAURUS

C98206

Created by admin on Fri Dec 15 15:16:54 GMT 2023 , Edited by admin on Fri Dec 15 15:16:54 GMT 2023

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DIAMOCAINE CYCLAMATE

SALT/SOLVATE -> PARENT

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					I3I4XCR66J

ACTIVE MOIETY