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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H49NO10
Molecular Weight 643.7643
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUPRENORPHINE 3-GLUCURONIDE

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]57CC[C@@]2(OC)[C@]([H])(C7)[C@](C)(O)C(C)(C)C)=CC=C3O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O

InChI

InChIKey=CZULHKGIAJASAA-WWIHBJMFSA-N
InChI=1S/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32+,33-,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H49NO10
Molecular Weight 643.7643
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
L7FYM9GI97
Record Status Validated (UNII)
Record Version