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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N2O6.ClH
Molecular Weight 454.944
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZD-7114 HYDROCHLORIDE

SMILES

Cl.COCCNC(=O)COC1=CC=C(OCCNC[C@H](O)COC2=CC=CC=C2)C=C1

InChI

InChIKey=KCAMZVQSGDBGGF-FERBBOLQSA-N
InChI=1S/C22H30N2O6.ClH/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19;/h2-10,18,23,25H,11-17H2,1H3,(H,24,26);1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H30N2O6
Molecular Weight 418.4834
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.9 nM [EC50]
PubMed

PubMed

TitleDatePubMed
Evaluation of ICI D7114, a putative stimulant of brown adipocytes, on histamine-contracted guinea-pig ileum.
1993 Aug
Effects of ZD7114, a selective beta3-adrenoceptor agonist, on neuroendocrine mechanisms controlling energy balance.
1998 Apr 24
Gastroprotective effect of beta3 adrenoreceptor agonists ZD 7114 and CGP 12177A in rats.
2002 Oct
Substance Class Chemical
Created
by admin
on Tue Oct 22 12:35:26 UTC 2019
Edited
by admin
on Tue Oct 22 12:35:26 UTC 2019
Record UNII
Z63T1D9750
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZD-7114 HYDROCHLORIDE
Code English
ACETAMIDE, 2-(4-(2-((2-HYDROXY-3-PHENOXYPROPYL)AMINO)ETHOXY)PHENOXY)-N-(2-METHOXYETHYL)-, MONOHYDROCHLORIDE, (S)-
Systematic Name English
D-7114 HYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
129689-28-7
Created by admin on Tue Oct 22 12:35:26 UTC 2019 , Edited by admin on Tue Oct 22 12:35:26 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE