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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H15Cl3N2OS.HNO3
Molecular Weight 500.783
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERTACONAZOLE NITRATE, (S)-

SMILES

O[N+]([O-])=O.ClC1=CC(Cl)=C(C=C1)[C@@H](CN2C=CN=C2)OCC3=CSC4=C3C=CC=C4Cl

InChI

InChIKey=HAAITRDZHUANGT-FSRHSHDFSA-N
InChI=1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)/t19-;/m1./s1

HIDE SMILES / InChI

Molecular Formula HNO3
Molecular Weight 63.0128
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H15Cl3N2OS
Molecular Weight 437.77
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:52:00 GMT 2023
Edited
by admin
on Sat Dec 16 11:52:00 GMT 2023
Record UNII
N28TRE7H8R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SERTACONAZOLE NITRATE, (S)-
Common Name English
1H-IMIDAZOLE, 1-((2S)-2-((7-CHLOROBENZO(B)THIEN-3-YL)METHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-, MONONITRATE
Systematic Name English
1H-IMIDAZOLE, 1-((2S)-2-((7-CHLOROBENZO(B)THIEN-3-YL)METHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-, NITRATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
66636864
Created by admin on Sat Dec 16 11:52:00 GMT 2023 , Edited by admin on Sat Dec 16 11:52:00 GMT 2023
PRIMARY
CAS
583057-52-7
Created by admin on Sat Dec 16 11:52:00 GMT 2023 , Edited by admin on Sat Dec 16 11:52:00 GMT 2023
PRIMARY
FDA UNII
N28TRE7H8R
Created by admin on Sat Dec 16 11:52:00 GMT 2023 , Edited by admin on Sat Dec 16 11:52:00 GMT 2023
PRIMARY