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Details

Stereochemistry EPIMERIC
Molecular Formula C21H31NO8
Molecular Weight 425.4727
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,O-DIDESMETHYLVENLAFAXINE-GLUCURONIDE

SMILES

CNCC(C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C3(O)CCCCC3

InChI

InChIKey=UDNAJOOLWIWCAW-SQBZNDFJSA-N
InChI=1S/C21H31NO8/c1-22-11-14(21(28)9-3-2-4-10-21)12-5-7-13(8-6-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5-8,14-18,20,22-25,28H,2-4,9-11H2,1H3,(H,26,27)/t14?,15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H31NO8
Molecular Weight 425.4727
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1H23L3816Q
Record Status Validated (UNII)
Record Version