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Details

Stereochemistry MIXED
Molecular Formula C6H14N2.C3H4O3.Pt
Molecular Weight 397.335
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Stereo Comments CYCLOBUTANE ORIENTATION RESULTS IN DIASTEREOISOMERS

SHOW SMILES / InChI
Structure of LOBAPLATIN

SMILES

[Pt++].C[C@H]([O-])C([O-])=O.NC[C@@H]1CC[C@H]1CN

InChI

InChIKey=RLXPIABKJFUYFG-DOYDWZMXSA-M
InChI=1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+2/p-1/t5-,6-;2-;/m00./s1

HIDE SMILES / InChI

Molecular Formula C3H4O3
Molecular Weight 88.0621
Charge -2
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 Pt
Molecular Weight 195.084
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H14N2
Molecular Weight 114.1888
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
OX5XK1JD8C
Record Status Validated (UNII)
Record Version