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Pyrazoloacridine

CAT: 0926-ZDA00920-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ZDA00920-02Size:50 mg
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CAS Number
99009-20-8
MDL Number
MFCD00667221
Smiles
CC1=C2C (=CC=C1) C (C (=O) N2) (F) F
Molecular Formula
C19H21N5O3
Molecular Weight
367.4 g/mol
Controlled
No

Chemical Information

Pyrazoloacridine

Pyrazoloacridine has been used in trials studying the treatment of Lung Cancer, Liver Cancer, Breast Cancer, Melanoma (Skin), and Metastatic Cancer, among others.

CAS Number99009-20-8
PubChem CID339455
IUPAC Name3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine
Molecular FormulaC19H21N5O3
Molecular Weight367.4
XLogP3
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity542
SMILES
CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC
InChI
InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3
InChIKey
HZCWPKGYTCJSEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrazoloacridine
CAS: 99009-20-8
CID: 339455
Formula: C19H21N5O3
MW: 367.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass367.16443955
Monoisotopic Mass367.16443955
Topological Polar Surface Area88.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
526067Pyrazoloacridine
HY-108969R-01Pyrazoloacridine (Standard)

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