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Details

Stereochemistry EPIMERIC
Molecular Formula C20H23BrN3O8P
Molecular Weight 544.29
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STAMPIDINE

SMILES

COC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@H](C=C1)N2C=C(C)C(=O)NC2=O)OC3=CC=C(Br)C=C3

InChI

InChIKey=VPABMVYNSQRPBD-AOJMVMDXSA-N
InChI=1S/C20H23BrN3O8P/c1-12-10-24(20(27)22-18(12)25)17-9-8-16(31-17)11-30-33(28,23-13(2)19(26)29-3)32-15-6-4-14(21)5-7-15/h4-10,13,16-17H,11H2,1-3H3,(H,23,28)(H,22,25,27)/t13-,16+,17-,33?/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H23BrN3O8P
Molecular Weight 544.29
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
MHN9I3MQ1X
Record Status Validated (UNII)
Record Version