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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35Cl2N3O9
Molecular Weight 640.509
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(Cl)C(Cl)=C(C=C2)N3CCN(CCCCOC4=CC5=C(CCC(=O)N5)C=C4)CC3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=HEJPDCHYELODAJ-DYXRGMLLSA-N
InChI=1S/C29H35Cl2N3O9/c30-22-19(6-7-20(23(22)31)42-29-26(38)24(36)25(37)27(43-29)28(39)40)34-12-10-33(11-13-34)9-1-2-14-41-17-5-3-16-4-8-21(35)32-18(16)15-17/h3,5-7,15,24-27,29,36-38H,1-2,4,8-14H2,(H,32,35)(H,39,40)/t24-,25-,26+,27-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35Cl2N3O9
Molecular Weight 640.509
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 21:14:23 UTC 2023
Edited
by admin
on Thu Jul 06 21:14:23 UTC 2023
Record UNII
EU2W4CO6AQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL
Systematic Name English
DM-1454
Common Name English
2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
DM 1454
Common Name English
Code System Code Type Description
CAS
173456-51-4
Created by admin on Thu Jul 06 21:14:24 UTC 2023 , Edited by admin on Thu Jul 06 21:14:24 UTC 2023
PRIMARY
FDA UNII
EU2W4CO6AQ
Created by admin on Thu Jul 06 21:14:24 UTC 2023 , Edited by admin on Thu Jul 06 21:14:24 UTC 2023
PRIMARY
PUBCHEM
145722632
Created by admin on Thu Jul 06 21:14:24 UTC 2023 , Edited by admin on Thu Jul 06 21:14:24 UTC 2023
PRIMARY
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