Digadoglucitol

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 Search

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

Approval Year

Name

Type

Language

Digadoglucitol

Official Name

English

digadoglucitol [INN]

Preferred Name

English

Gadolinium, [?-[1-[bis[2-(hydroxy-?O)-3-[4,7,10-tris[(carboxy-?O)methyl]-1,4,7,10-tetraazacyclododec-1-yl-?N1,?N4,?N7,?N10]propyl]amino]-1-deoxy-D-glucitolato(6-)]]di-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C203212