CAFEDRINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23N5O3
Molecular Weight	357.4069
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CAFEDRINE

Structure Search

SMILES

C[C@H](NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)[C@H](O)C3=CC=CC=C3

InChI

InChIKey=UJSKUDDDPKGBJY-WFASDCNBSA-N

InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3/t12-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H23N5O3
Molecular Weight	357.4069
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:39:12 UTC 2023` Edited by `admin` on `Fri Dec 15 16:39:12 UTC 2023`
Record UNII	0UYY5V4U2Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CAFEDRINE

Official Name

English

cafedrine [INN]

Common Name

English

(-)-CAFEDRINE

Common Name

English

7-(2-(2-HYDROXY-1-METHYLPHENETHYLAMINO)ETHYL)THEOPHYLLINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2-(((1S,2R)-2-HYDROXY-1-METHYL-2-PHENYLETHYL)AMINO)ETHYL)-1,3-DIMETHYL-

Systematic Name

English

NOREPHENDRINETHEOPHYLLINE

Common Name

English

7-(2-(.BETA.-HYDROXY-.ALPHA.-METHYLPHENETHYLAMINO)ETHYL)THEOPHYLLINE

Systematic Name

English

Cafedrine [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QC01CA21

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

NCI_THESAURUS

C47795

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

WHO-ATC

C01CA21

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C76026

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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WIKIPEDIA

Cafedrine

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

PRIMARY

INN

1668

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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SMS_ID

100000081571

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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DRUG BANK

DB12926

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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CAS

58166-83-9

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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DRUG CENTRAL

462

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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FDA UNII

0UYY5V4U2Q

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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EPA CompTox

DTXSID50866678

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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EVMPD

SUB06044MIG

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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RXCUI

47589

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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RxNorm

MESH

C002749

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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ChEMBL

CHEMBL2104207

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

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PUBCHEM

5489638

Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023

PRIMARY

Related Record Type Details


					L0N3M64B9R

CAFEDRINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					0UYY5V4U2Q

CAFEDRINE

ACTIVE MOIETY