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(S)-Carisbamate β-D-O-Glucuronide , CAS No.940279-82-3
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Basic Description
Synonyms | 940279-82-3 | UNII-A1SO7FM0UT | A1SO7FM0UT | RWJ-333369 metabolite M21 | R289876 | R-289876 | (2S,3S,4S,5R,6R)-6-[(1S)-2-carbamoyloxy-1-(2-chlorophenyl)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | (S)-Carisbamate beta-D-O-glucuronide | (1S)-2-((Aminocarbonyl)oxy)-1- |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (2S,3S,4S,5R,6R)-6-[(1S)-2-carbamoyloxy-1-(2-chlorophenyl)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
INCHI | InChI=1S/C15H18ClNO9/c16-7-4-2-1-3-6(7)8(5-24-15(17)23)25-14-11(20)9(18)10(19)12(26-14)13(21)22/h1-4,8-12,14,18-20H,5H2,(H2,17,23)(H,21,22)/t8-,9+,10+,11-,12+,14-/m1/s1 |
InChi Key | RKWAMNXFHLRQGF-CBIHJVFNSA-N |
Canonical SMILES | C1=CC=C(C(=C1)C(COC(=O)N)OC2C(C(C(C(O2)C(=O)O)O)O)O)Cl |
Isomeric SMILES | C1=CC=C(C(=C1)[C@@H](COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl |
PubChem CID | 71314564 |
Molecular Weight | 391.76 |
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