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Details

Stereochemistry RACEMIC
Molecular Formula C44H41Cl4N11O6
Molecular Weight 961.678
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ITRACONAZOLE DIDIOXOLANYL ANALOG

SMILES

ClC1=CC=C(C(Cl)=C1)[C@]3(CN2C=NC=N2)OC[C@@H](COC4=CC=C(C=C4)N5CCN(CC5)C6=CC=C(C=C6)N7C=NN(C[C@@H]8CO[C@](CN9C=NC=N9)(O8)C%10=CC=C(Cl)C=C%10Cl)C7=O)O3

InChI

InChIKey=FSMBVBRTLIXRFI-FDNTZNQVSA-N
InChI=1S/C44H41Cl4N11O6/c45-30-1-11-38(40(47)17-30)43(23-56-27-49-25-51-56)62-21-36(64-43)19-59-42(60)58(29-53-59)34-5-3-32(4-6-34)54-13-15-55(16-14-54)33-7-9-35(10-8-33)61-20-37-22-63-44(65-37,24-57-28-50-26-52-57)39-12-2-31(46)18-41(39)48/h1-12,17-18,25-29,36-37H,13-16,19-24H2/t36-,37-,43-,44-/m1/s1

HIDE SMILES / InChI

Molecular Formula C44H41Cl4N11O6
Molecular Weight 961.678
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:55:43 UTC 2023
Edited
by admin
on Sat Dec 16 01:55:43 UTC 2023
Record UNII
S00O69DCVF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ITRACONAZOLE DIDIOXOLANYL ANALOG
Common Name English
(±)-ITRACONAZOLE DIDIOXOLANYL ANALOG
Common Name English
ITRACONAZOLE IMPURITY G [EP IMPURITY]
Common Name English
ITRACONAZOLE IMPURITY, DIDIOXOLANYL ANALOG- [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
76964013
Created by admin on Sat Dec 16 01:55:43 UTC 2023 , Edited by admin on Sat Dec 16 01:55:43 UTC 2023
PRIMARY
FDA UNII
S00O69DCVF
Created by admin on Sat Dec 16 01:55:43 UTC 2023 , Edited by admin on Sat Dec 16 01:55:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP