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903571-02-8 | (+)-(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride Monohydrate, 98%
CAS No: 903571-02-8 Catalog No: AG003BBU MDL No:MFCD10566989
Product Description
Catalog Number:
AG003BBU
Chemical Name:
(+)-(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride Monohydrate, 98%
CAS Number:
903571-02-8
MDL Number:
MFCD10566989
IUPAC Name:
(1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;chloride;hydrate
InChI:
InChI=1S/C21H22N3O.ClH.H2O/c1-13-8-14(2)20(15(3)9-13)24-12-23-19(22-24)11-25-18-10-16-6-4-5-7-17(16)21(18)23;;/h4-9,12,18,21H,10-11H2,1-3H3;1H;1H2/q+1;;/p-1/t18-,21+;;/m1../s1
InChI Key:
DFFDIRURHBNRTR-UITHODHBSA-M
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
385.156g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.892g/mol
Monoisotopic Mass:
385.156g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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