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Details

Stereochemistry MIXED
Molecular Formula C40H69N9O19.2Gd
Molecular Weight 1294.52
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Digadoglucitol

SMILES

[Gd+3].[Gd+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CN(CC(O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)CC(O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2

InChI

InChIKey=ABNHNZKKSQVAOS-OMSVLNLVSA-H
InChI=1S/C40H75N9O19.2Gd/c50-28-32(54)40(68)39(67)31(53)21-49(19-29(51)17-41-1-5-43(22-33(55)56)9-13-47(26-37(63)64)14-10-44(6-2-41)23-34(57)58)20-30(52)18-42-3-7-45(24-35(59)60)11-15-48(27-38(65)66)16-12-46(8-4-42)25-36(61)62;;/h29-32,39-40,50-54,67-68H,1-28H2,(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66);;/q;2*+3/p-6/t29?,30?,31-,32+,39+,40+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula Gd
Molecular Weight 157.25
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C40H69N9O19
Molecular Weight 980.0248
Charge -6
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:41 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:41 GMT 2023
Record UNII
F2Q2ZU6CAU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Digadoglucitol
INN  
Official Name English
digadoglucitol [INN]
Common Name English
Gadolinium, [μ-[1-[bis[2-(hydroxy-κO)-3-[4,7,10-tris[(carboxy-κO)methyl]-1,4,7,10-tetraazacyclododec-1-yl-κN1,κN4,κN7,κN10]propyl]amino]-1-deoxy-D-glucitolato(6-)]]di-
Systematic Name English
Code System Code Type Description
FDA UNII
F2Q2ZU6CAU
Created by admin on Sat Dec 16 19:07:41 GMT 2023 , Edited by admin on Sat Dec 16 19:07:41 GMT 2023
PRIMARY
INN
12426
Created by admin on Sat Dec 16 19:07:41 GMT 2023 , Edited by admin on Sat Dec 16 19:07:41 GMT 2023
PRIMARY
CAS
2098944-37-5
Created by admin on Sat Dec 16 19:07:41 GMT 2023 , Edited by admin on Sat Dec 16 19:07:41 GMT 2023
PRIMARY
PUBCHEM
168510625
Created by admin on Sat Dec 16 19:07:41 GMT 2023 , Edited by admin on Sat Dec 16 19:07:41 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY
Imaging agent
PRECLINICAL