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16140-33-3 | 9H-Xanthen-9-one, 6-chloro-1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-
CAS No: 16140-33-3 Catalog No: AG001SFX MDL No:
Product Description
Catalog Number:
AG001SFX
Chemical Name:
9H-Xanthen-9-one, 6-chloro-1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-
CAS Number:
16140-33-3
Molecular Formula:
C20H23ClN2O3
Molecular Weight:
374.8612
IUPAC Name:
6-chloro-1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)xanthen-9-one
InChI:
InChI=1S/C20H23ClN2O3/c1-3-23(4-2)10-9-22-16-8-5-13(12-24)20-18(16)19(25)15-7-6-14(21)11-17(15)26-20/h5-8,11,22,24H,3-4,9-10,12H2,1-2H3
InChI Key:
SXELCCLTOPMSOW-UHFFFAOYSA-N
SMILES:
CCN(CCNc1ccc(c2c1c(=O)c1c(o2)cc(cc1)Cl)CO)CC
NSC Number:
166370
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.14g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.865g/mol
Monoisotopic Mass:
374.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 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 |
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