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854670-32-9 | Phenanthridinium, 3,8-diamino-5-ethyl-2-hydroxy-6-phenyl-
CAS No: 854670-32-9 Catalog No: AG004JU0 MDL No:
Product Description
Catalog Number:
AG004JU0
Chemical Name:
Phenanthridinium, 3,8-diamino-5-ethyl-2-hydroxy-6-phenyl-
CAS Number:
854670-32-9
Molecular Formula:
C21H20N3O+
Molecular Weight:
330.4030
IUPAC Name:
3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium-2-ol
InChI:
InChI=1S/C21H19N3O/c1-2-24-19-12-18(23)20(25)11-16(19)15-9-8-14(22)10-17(15)21(24)13-6-4-3-5-7-13/h3-12,23,25H,2,22H2,1H3/p+1
InChI Key:
QZGDUYKVUMMZQQ-UHFFFAOYSA-O
SMILES:
CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)c(c2)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.161g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.411g/mol
Monoisotopic Mass:
330.161g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Erythropoietin increases bioavailability of tetrahydrobiopterin and protects cerebral microvasculature against oxidative stress induced by eNOS uncoupling. | Journal of neurochemistry 20141101 |
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