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85351-27-5 | 6H-Indolo[3,4-gh][1,4]benzoxazine,4,6a,7,8,9,10a-hexahydro-7-propyl-, monohydrochloride, (6aR,10aR)- (9CI)
CAS No: 85351-27-5 Catalog No: AG004OZH MDL No:
Product Description
Catalog Number:
AG004OZH
Chemical Name:
6H-Indolo[3,4-gh][1,4]benzoxazine,4,6a,7,8,9,10a-hexahydro-7-propyl-, monohydrochloride, (6aR,10aR)- (9CI)
CAS Number:
85351-27-5
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
(7R)-6-propyl-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;hydrochloride
InChI:
InChI=1S/C16H20N2O.ClH/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18;/h3-5,10,14,16-17H,2,6-9H2,1H3;1H/t14-,16?;/m1./s1
InChI Key:
PNOZBKNRNVWLEB-VHCCSVTPSA-N
SMILES:
CCCN1CCO[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.807g/mol
Monoisotopic Mass:
292.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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