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Details

Stereochemistry RACEMIC
Molecular Formula C26H31Cl2N5O3
Molecular Weight 532.462
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-(((2RS,4RS)-2-(2,4-DICHLOROPHENYL)-2-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-4-(1-METHYLETHYL)PIPERAZINE

SMILES

CC(C)N1CCN(CC1)C2=CC=C(OC[C@H]3CO[C@](CN4C=NC=N4)(O3)C5=C(Cl)C=C(Cl)C=C5)C=C2

InChI

InChIKey=BLSQLHNBWJLIBQ-JYFHCDHNSA-N
InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31Cl2N5O3
Molecular Weight 532.462
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 Sat Dec 16 15:33:32 UTC 2023
Edited
by admin
on Sat Dec 16 15:33:32 UTC 2023
Record UNII
6SMO7LX388
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-(((2RS,4RS)-2-(2,4-DICHLOROPHENYL)-2-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-4-(1-METHYLETHYL)PIPERAZINE
Systematic Name English
TERCONAZOLE IMPURITY A [EP IMPURITY]
Common Name English
TERCONAZOLE IMPURITY A [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1486497-66-8
Created by admin on Sat Dec 16 15:33:32 UTC 2023 , Edited by admin on Sat Dec 16 15:33:32 UTC 2023
PRIMARY
PUBCHEM
44450696
Created by admin on Sat Dec 16 15:33:32 UTC 2023 , Edited by admin on Sat Dec 16 15:33:32 UTC 2023
PRIMARY
FDA UNII
6SMO7LX388
Created by admin on Sat Dec 16 15:33:32 UTC 2023 , Edited by admin on Sat Dec 16 15:33:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP