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182296-54-4 | Morphinan-3,10,14-triol, 17-(cyclobutylmethyl)-
CAS No: 182296-54-4 Catalog No: AG0023L5 MDL No:
Product Description
Catalog Number:
AG0023L5
Chemical Name:
Morphinan-3,10,14-triol, 17-(cyclobutylmethyl)-
CAS Number:
182296-54-4
Molecular Formula:
C21H29NO3
Molecular Weight:
343.4599
IUPAC Name:
(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,8,10-triol
InChI:
InChI=1S/C21H29NO3/c23-15-6-7-16-17(12-15)20-8-1-2-9-21(20,25)19(18(16)24)22(11-10-20)13-14-4-3-5-14/h6-7,12,14,18-19,23-25H,1-5,8-11,13H2/t18?,19-,20+,21-/m1/s1
InChI Key:
JQPAXQSBFSZIRT-OTYNDTSQSA-N
SMILES:
Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2O)N(CC1)CC1CCC1)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
343.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.467g/mol
Monoisotopic Mass:
343.215g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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