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(Q82936762)
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English
Methyl 7-chloro-6,7,8-trideoxy-2-O-hexadecanoyl-6-{[hydroxy(1-methyl-4-propylpyrrolidin-2-yl)methylidene]amino}-1-thiooctopyranoside
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
662.409536416
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₆₃ClN₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(N=C(O)C2CC(CCC)CN2C)C(C)Cl)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC1C(SC)OC(C(NC(=O)C2C[C@@H](CCC)CN2C)C(C)Cl)C(O)C1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C34H63ClN2O6S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41)/t24?,25-,26?,28?,29?,30?,31?,32?,34?/m1/s1
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InChIKey
OYSKUZDIHNKWLV-CXOOOYNYSA-N
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CAS Registry Number
35208-55-0
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PubChem CID
83855
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
46372332
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40956658
0 references
DSSTOX compound identifier
DTXCID501384616
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