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2-Hydroxyethyl Nortadalafil

CAT: 0572-TRC-H942245-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H942245-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
385769-94-8
Synonyms
(6R,12aR)-rel-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-(2-hydroxyethyl)-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
OCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5ccc6OCOc6c5)C1=O
Molecular Formula
C23H21N3O5
Molecular Weight
419.43
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Hydroxyethyl nortadalafil

a phosphodiesterase type-5 inhibitor; structure in first source

CAS Number385769-94-8
PubChem CID10159034
IUPAC Name(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC23H21N3O5
Molecular Weight419.4
XLogP1.6
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity734
SMILES
C1[C@@H]2C(=O)N(CC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)CCO
InChI
InChI=1S/C23H21N3O5/c27-8-7-25-11-20(28)26-17(23(25)29)10-15-14-3-1-2-4-16(14)24-21(15)22(26)13-5-6-18-19(9-13)31-12-30-18/h1-6,9,17,22,24,27H,7-8,10-12H2/t17-,22-/m1/s1
InChIKey
VDBODWGORDEZOC-VGOFRKELSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyethyl nortadalafil
CAS: 385769-94-8
CID: 10159034
Formula: C23H21N3O5
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.4
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass419.14812078
Monoisotopic Mass419.14812078
Topological Polar Surface Area95.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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