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1217821-52-7 | COLCHICINE METHANETHIOSULFONATE
CAS No: 1217821-52-7 Catalog No: AG0015ZV MDL No:
Product Description
Catalog Number:
AG0015ZV
Chemical Name:
COLCHICINE METHANETHIOSULFONATE
CAS Number:
1217821-52-7
Molecular Formula:
C24H29NO8S2
Molecular Weight:
523.6190
IUPAC Name:
3-methylsulfonylsulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide
InChI:
InChI=1S/C24H29NO8S2/c1-30-19-9-7-15-16(13-18(19)26)17(25-21(27)10-11-34-35(5,28)29)8-6-14-12-20(31-2)23(32-3)24(33-4)22(14)15/h7,9,12-13,17H,6,8,10-11H2,1-5H3,(H,25,27)/t17-/m0/s1
InChI Key:
KZMCZFBQMMHSRF-KRWDZBQOSA-N
SMILES:
COc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)CCSS(=O)(=O)C
Properties
Complexity:
998
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
523.133g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
523.615g/mol
Monoisotopic Mass:
523.133g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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