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Details

Stereochemistry EPIMERIC
Molecular Formula C16H16N2O7
Molecular Weight 348.3074
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADC-13

SMILES

C[C@@H](O)[C@@H]1[C@H]2CC(=O)C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=YBIDYTOJOXKBLO-USLOAXSXSA-N
InChI=1S/C16H16N2O7/c1-8(19)13-11-6-12(20)14(17(11)15(13)21)16(22)25-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11,13-14,19H,6-7H2,1H3/t8-,11-,13-,14?/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16N2O7
Molecular Weight 348.3074
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V9J4CAR06A
Record Status Validated (UNII)
Record Version