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

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

Approval Year

Name Type Language
CAFEDRINE
INN   WHO-DD  
INN  
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY 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
PRIMARY
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
PRIMARY
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