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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18ClN3O9
Molecular Weight 395.75
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORNIDAZOLE-O-GLUCURONIDE, (S)-

SMILES

[H][C@@]2(O[C@H](CCl)CN1C(C)=NC=C1[N+]([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=KBQRFMVIJNGKLT-MYFDYOBUSA-N
InChI=1S/C13H18ClN3O9/c1-5-15-3-7(17(23)24)16(5)4-6(2-14)25-13-10(20)8(18)9(19)11(26-13)12(21)22/h3,6,8-11,13,18-20H,2,4H2,1H3,(H,21,22)/t6-,8+,9+,10-,11+,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18ClN3O9
Molecular Weight 395.75
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Y77F75RGX7
Record Status Validated (UNII)
Record Version