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Details

Stereochemistry MIXED
Molecular Formula C40H75N9O19
Molecular Weight 986.0724
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Digadoglucitol free acid

SMILES

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=HATROTSAPSPJDQ-PLEIILPQSA-N
InChI=1S/C40H75N9O19/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)/t29?,30?,31-,32+,39+,40+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Digadoglucitol free acid
Common Name English
1-[Bis[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]propyl]amino]-1-deoxy-D-glucitol
Common Name English
D-Glucitol, 1-[bis[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]propyl]amino]-1-deoxy-
Common Name English
Code System Code Type Description
FDA UNII
USL2PB6YFS
Created by admin on Sat Dec 16 19:59:40 GMT 2023 , Edited by admin on Sat Dec 16 19:59:40 GMT 2023
PRIMARY
PUBCHEM
168510626
Created by admin on Sat Dec 16 19:59:40 GMT 2023 , Edited by admin on Sat Dec 16 19:59:40 GMT 2023
PRIMARY
CAS
2098944-28-4
Created by admin on Sat Dec 16 19:59:40 GMT 2023 , Edited by admin on Sat Dec 16 19:59:40 GMT 2023
PRIMARY