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Details

Stereochemistry RACEMIC
Molecular Formula C17H21N5O5.ClH
Molecular Weight 411.84
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEODRENALINE HYDROCHLORIDE

SMILES

Cl.CN1C2=C(N(CCNCC(O)C3=CC=C(O)C(O)=C3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=CSKCJAUXLOQTMM-UHFFFAOYSA-N
InChI=1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C17H21N5O5
Molecular Weight 375.3791
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

THEODRENALINE, a theophylline derivative, is a cardiac stimulant. A 20:1 mixture of cafedrine and THEODRENALINE (AKRINOR®) is widely used in Germany for the treatment of hypotensive states during anesthesia and in emergency medicine.

Approval Year

PubMed

Substance Class Chemical
Record UNII
770L7172BR
Record Status Validated (UNII)
Record Version