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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21ClN4O7
Molecular Weight 488.878
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONJUGATED 4'-HYDROXYESTAZOLAM

SMILES

[H][C@@]5(OC1=CC=C(C=C1)C2=NCC3=NNCN3C4=CC=C(Cl)C=C24)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=KFDSDLNJEGEPLJ-SXFAUFNYSA-N
InChI=1S/C22H21ClN4O7/c23-11-3-6-14-13(7-11)16(24-8-15-26-25-9-27(14)15)10-1-4-12(5-2-10)33-22-19(30)17(28)18(29)20(34-22)21(31)32/h1-7,17-20,22,25,28-30H,8-9H2,(H,31,32)/t17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H21ClN4O7
Molecular Weight 488.878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:25:26 UTC 2023
Edited
by admin
on Thu Jul 06 19:25:26 UTC 2023
Record UNII
HA7GSQ3MM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONJUGATED 4'-HYDROXYESTAZOLAM
Common Name English
(2S,3S,4S,5R,6S)-6-(4-(8-CHLORO-2,4-DIHYDRO-1H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-6-YL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
156596549
Created by admin on Thu Jul 06 19:25:26 UTC 2023 , Edited by admin on Thu Jul 06 19:25:26 UTC 2023
PRIMARY
FDA UNII
HA7GSQ3MM7
Created by admin on Thu Jul 06 19:25:26 UTC 2023 , Edited by admin on Thu Jul 06 19:25:26 UTC 2023
PRIMARY
Related Record Type Details
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