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88899-61-0 | 10h-phenothiazine-2-sulfonamide, 10-(1-azabicyclo(2.2.2)oct-3-yl)-n-methyl-
CAS No: 88899-61-0 Catalog No: AG0049EI MDL No:
Product Description
Catalog Number:
AG0049EI
Chemical Name:
10h-phenothiazine-2-sulfonamide, 10-(1-azabicyclo(2.2.2)oct-3-yl)-n-methyl-
CAS Number:
88899-61-0
Molecular Formula:
C20H23N3O2S2
Molecular Weight:
401.5455
IUPAC Name:
6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
InChI:
InChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1
InChI Key:
AWQLNKJBXASXDU-SFDCBXKLSA-N
SMILES:
Cc1c2c(ccc1S(=O)(=O)N)Sc1c(N2C2CN3CCC2CC3)cccc1
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Solanapyrone synthase, a possible Diels-Alderase and iterative type I polyketide synthase encoded in a biosynthetic gene cluster from Alternaria solani. | Chembiochem : a European journal of chemical biology 20100614 |
| The effect of solanapyrone a produced by Ascochyta rabiei on seed germination and the elongation of radicles and hypocotyls of chickpea (Cicer areitinum L.). | Communications in agricultural and applied biological sciences 20040101 |
| First total syntheses of the phytotoxins solanapyrones D and E via the domino Michael protocol. | The Journal of organic chemistry 20020823 |
| Diels-Alderases. | Chembiochem : a European journal of chemical biology 20011203 |
| Enzymatic activity and partial purification of solanapyrone synthase: first enzyme catalyzing Diels-Alder reaction. | Biochimica et biophysica acta 19980519 |
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