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(Q82246509)
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English
(S,S,R,S)-Orlistat
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
495.39237379599996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
orlistat
1 reference
based on heuristic
inferred from InChI
(-)-leucine orlistat
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₅₃NO₅
0 references
canonical SMILES
CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
0 references
Identifiers
InChI
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27+/m0/s1
0 references
InChIKey
AHLBNYSZXLDEJQ-YIPNQBBMSA-N
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CAS Registry Number
130193-42-9
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PubChem CID
9891992
1 reference
matched by identifier from
InChIKey
InChIKey
AHLBNYSZXLDEJQ-YIPNQBBMSA-N
UniChem compound ID
33183400
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80432446
1 reference
matched by identifier from
InChIKey
InChIKey
AHLBNYSZXLDEJQ-YIPNQBBMSA-N
DSSTOX compound identifier
DTXCID50383274
0 references
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