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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20Cl2N2O7
Molecular Weight 423.245
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(2,3-DICHLORO-4-PIPERAZIN-1-YL-PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(Cl)C(Cl)=C(C=C2)N3CCNCC3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=GHZUDPNROWVKAZ-JHZZJYKESA-N
InChI=1S/C16H20Cl2N2O7/c17-9-7(20-5-3-19-4-6-20)1-2-8(10(9)18)26-16-13(23)11(21)12(22)14(27-16)15(24)25/h1-2,11-14,16,19,21-23H,3-6H2,(H,24,25)/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H20Cl2N2O7
Molecular Weight 423.245
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 20:46:16 UTC 2023
Edited
by admin
on Thu Jul 06 20:46:16 UTC 2023
Record UNII
HCV8Y9CQ9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-6-(2,3-DICHLORO-4-PIPERAZIN-1-YL-PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
GLUCURONIDE OF DM-1431
Common Name English
Code System Code Type Description
PUBCHEM
146019455
Created by admin on Thu Jul 06 20:46:17 UTC 2023 , Edited by admin on Thu Jul 06 20:46:17 UTC 2023
PRIMARY
FDA UNII
HCV8Y9CQ9E
Created by admin on Thu Jul 06 20:46:17 UTC 2023 , Edited by admin on Thu Jul 06 20:46:17 UTC 2023
PRIMARY
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