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Details

Stereochemistry RACEMIC
Molecular Formula C22H24Cl2N4O3
Molecular Weight 463.357
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N'-(4-(((2R)-2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)ETHANE-1,2-DIAMINE

SMILES

NCCNC1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C4=C(Cl)C=C(Cl)C=C4)C=C1

InChI

InChIKey=URTUWKMGVFPWPN-UGKGYDQZSA-N
InChI=1S/C22H24Cl2N4O3/c23-16-1-6-20(21(24)11-16)22(14-28-10-9-26-15-28)30-13-19(31-22)12-29-18-4-2-17(3-5-18)27-8-7-25/h1-6,9-11,15,19,27H,7-8,12-14,25H2/t19-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H24Cl2N4O3
Molecular Weight 463.357
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 Thu Jul 06 19:24:21 UTC 2023
Edited
by admin
on Thu Jul 06 19:24:21 UTC 2023
Record UNII
MQ22FM3GHH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N'-(4-(((2R)-2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)ETHANE-1,2-DIAMINE
Common Name English
1,2-ETHANEDIAMINE, N-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-, CIS-
Systematic Name English
Code System Code Type Description
FDA UNII
MQ22FM3GHH
Created by admin on Thu Jul 06 19:24:21 UTC 2023 , Edited by admin on Thu Jul 06 19:24:21 UTC 2023
PRIMARY
PUBCHEM
101672308
Created by admin on Thu Jul 06 19:24:21 UTC 2023 , Edited by admin on Thu Jul 06 19:24:21 UTC 2023
PRIMARY
CAS
159898-60-9
Created by admin on Thu Jul 06 19:24:21 UTC 2023 , Edited by admin on Thu Jul 06 19:24:21 UTC 2023
PRIMARY
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MAY BE CLINICALLY SIGNIFICANT