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Home Sulfos Methanone, [(3R)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-, methanesulfonate (1:1)

Methanone, [(3R)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-, methanesulfonate (1:1)

CAS No.:
131543-23-2
Catalog Number:
AG000ZDU
Molecular Formula:
C28H30N2O6S
Molecular Weight:
522.6126
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$140
- +
10mg
99%
1 week
United States
$173
- +
50mg
99%
1 week
United States
$490
- +
100mg
99%
1 week
United States
$823
- +
Product Description
Catalog Number:
AG000ZDU
Chemical Name:
Methanone, [(3R)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-, methanesulfonate (1:1)
CAS Number:
131543-23-2
Molecular Formula:
C28H30N2O6S
Molecular Weight:
522.6126
MDL Number:
MFCD00153882
IUPAC Name:
methanesulfonic acid;[(11R)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
InChI:
InChI=1S/C27H26N2O3.CH4O3S/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28;1-5(2,3)4/h2-11,20H,12-17H2,1H3;1H3,(H,2,3,4)/t20-;/m1./s1
InChI Key:
FSGCSTPOPBJYSX-VEIFNGETSA-N
SMILES:
CS(=O)(=O)O.O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2
UNII:
2J851TP7VJ
Properties
Complexity:
772  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
522.182g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
522.616g/mol
Monoisotopic Mass:
522.182g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. Nature chemical biology 20091001
Activation of the endocannabinoid system by organophosphorus nerve agents. Nature chemical biology 20080601
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties