DOXYLAMINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H22N2O
Molecular Weight	270.3694
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOXYLAMINE

Structure Search

SMILES

CN(C)CCOC(C)(C1=CC=CC=C1)C2=CC=CC=N2

InChI

InChIKey=HCFDWZZGGLSKEP-UHFFFAOYSA-N

InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C17H22N2O
Molecular Weight	270.3694
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:10:53 UTC 2023` Edited by `admin` on `Sat Dec 16 05:10:53 UTC 2023`
Record UNII	95QB77JKPL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOXYLAMINE

Official Name

English

DOXYLAMINE [VANDF]

Common Name

English

PYRIDINE, 2-(.ALPHA.-(2-(DIMETHYLAMINO)ETHOXY)-.ALPHA.-METHYLBENZYL)-

Systematic Name

English

2-(.ALPHA.(2-(DIMETHYLAMINO)ETHOXY)-.ALPHA.-METHYLBENZYL)PYRIDINE

Systematic Name

English

(±)-DOXYLAMINE

Common Name

English

doxylamine [INN]

Common Name

English

ETHANAMINE, N,N-DIMETHYL-2-(1-PHENYL-1-(2-PYRIDINYL)ETHOXY)-

Systematic Name

English

DOXYLAMINE [MI]

Common Name

English

DOXYLAMINE [HSDB]

Common Name

English

Doxylamine [WHO-DD]

Common Name

English

N,N-DIMETHYL-2-(1-PHENYL-1-(2-PYRIDINYL)ETHOXY)ETHANAMINE

Systematic Name

English

Classification Tree Code System Code

WHO-ATC

R06AA59

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

CFR

21 CFR 520.784

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

WHO-VATC

QR06AA59

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

WHO-ATC

R06AA09

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

LIVERTOX

NBK548828

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

NCI_THESAURUS

C29578

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

NDF-RT

N0000175750

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

WHO-VATC

QR06AA09

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

Code System Code Type Description

EVMPD

SUB06394MIG

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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DRUG BANK

DB00366

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

FDA UNII

95QB77JKPL

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

IUPHAR

7171

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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DRUG CENTRAL

962

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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NCI_THESAURUS

C61738

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

CHEBI

51380

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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CAS

469-21-6

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-414-2

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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CAS

102737-83-7

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

SUPERSEDED

PUBCHEM

3162

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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MESH

D004319

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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MERCK INDEX

m4759

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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Merck Index

EPA CompTox

DTXSID1022970

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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WIKIPEDIA

DOXYLAMINE

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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INN

1782

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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HSDB

5184

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

RXCUI

3642

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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RxNorm

SMS_ID

100000080796

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

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LACTMED

Doxylamine

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

DAILYMED

95QB77JKPL

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

ChEMBL

CHEMBL1004

Created by admin on Sat Dec 16 05:10:53 UTC 2023 , Edited by admin on Sat Dec 16 05:10:53 UTC 2023

PRIMARY

Related Record Type Details


					28XBT591QG

HISTAMINE H1 RECEPTOR

TARGET -> INHIBITOR


					V9BI9B5YI2

DOXYLAMINE SUCCINATE

SALT/SOLVATE -> PARENT

Amount:


					POI7XGQ1HN

DOXYLAMINE CHLOROTHEOPHYLLINATE

SALT/SOLVATE -> PARENT

Amount:


					WC177DTO9Q

DOXYLAMINE, (R)-

ACTIVE ENANTIOMER->RACEMATE

Related Record Type Details


					5P0QF5KR0F

N,N-DIDESMETHYLDOXYLAMINE

METABOLITE -> PARENT


					M36G349I9I

N-DESMETHYLDOXYLAMINE

METABOLITE -> PARENT

Comments:

Could be free or glucuronide conjugate

Qualification:

URINE


					YG2C85DJEF

N,N-DIDESMETHYL-N-ACETYLDOXYLAMINE

METABOLITE -> PARENT

Qualification:

URINE


					HBP663F15H

N-DESMETHYL-N-ACETYLDOXYLAMINE

METABOLITE -> PARENT

Qualification:

URINE


					M36G349I9I

N-DESMETHYLDOXYLAMINE

METABOLITE -> PARENT


					5P0QF5KR0F

N,N-DIDESMETHYLDOXYLAMINE

METABOLITE -> PARENT

Comments:

Could be free or glucuronide conjugate

Qualification:

URINE

Related Record Type Details


					95QB77JKPL

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC