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1562-85-2 | Phenoxazin-5-ium, 1-carboxy-7-(dimethylamino)-3,4-dihydroxy-, chloride (1:1)
CAS No: 1562-85-2 Catalog No: AG001OLC MDL No:MFCD00011926
Product Description
Catalog Number:
AG001OLC
Chemical Name:
Phenoxazin-5-ium, 1-carboxy-7-(dimethylamino)-3,4-dihydroxy-, chloride (1:1)
CAS Number:
1562-85-2
Molecular Formula:
C15H13ClN2O5
Molecular Weight:
336.7271
MDL Number:
MFCD00011926
IUPAC Name:
7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid;chloride
InChI:
InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
InChI Key:
AQSOTOUQTVJNMY-UHFFFAOYSA-N
SMILES:
Oc1cc(C(=O)O)c2c(c1O)[o+]c1c(n2)ccc(c1)N(C)C.[Cl-]
EC Number:
216-345-7
UNII:
8S1S2GY38K
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.051g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.728g/mol
Monoisotopic Mass:
336.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Cp*Rh-based indicator-displacement assays for the identification of amino sugars and aminoglycosides. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060503 |
| Optical nitrite sensor based on chemical modification of a polymer film. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050601 |
| The porcine ear skin as a model system for the human integument: influence of storage conditions on basic features of epidermis structure and function--a histological and histochemical study. | Polish journal of veterinary sciences 20030101 |
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