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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H37N6O9.Y
Molecular Weight 619.4711
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YTTRIUM Y-90 LYSINE-DOTA

SMILES

[90Y+3].N[C@@H](CCCCNC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C(O)=O

InChI

InChIKey=XRVZOIMBNOZSSU-DJYNPGMBSA-K
InChI=1S/C22H40N6O9.Y/c23-17(22(36)37)3-1-2-4-24-18(29)13-25-5-7-26(14-19(30)31)9-11-28(16-21(34)35)12-10-27(8-6-25)15-20(32)33;/h17H,1-16,23H2,(H,24,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37);/q;+3/p-3/t17-;/m0./s1/i;1+1

HIDE SMILES / InChI

Molecular Formula C22H37N6O9
Molecular Weight 529.564
Charge -3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Y
Molecular Weight 89.907151443
Charge 3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
SRW23W1GWT
Record Status Validated (UNII)
Record Version