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Deacylated alfuzosin

CAT: 0931-T31257-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T31257-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76362-29-3
Target
Others
Related Pathways
Others
Bioactivity
Deacylated alfuzosin is a biochemical.
Smiles
N=1C(=NC=2C=C(OC)C(OC)=CC2C1N)N(C)CCCN
Molecular Formula
C14H21N5O2
Molecular Weight
291.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Deacylated alfuzosin
CAS Number76362-29-3
PubChem CID13544733
IUPAC Name2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
Molecular FormulaC14H21N5O2
Molecular Weight291.35
XLogP1
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity320
SMILES
CN(CCCN)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC
InChI
InChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)
InChIKey
HVTJQTPDNHTWGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deacylated alfuzosin
CAS: 76362-29-3
CID: 13544733
Formula: C14H21N5O2
MW: 291.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.35
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass291.16952493
Monoisotopic Mass291.16952493
Topological Polar Surface Area99.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity320
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

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