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Nafiverine

CAT: 0931-T24517-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24517-02Size:50 mg
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CAS Number
5061-22-3
Target
Others
Related Pathways
Others
Bioactivity
Nafiverine is a new antispasmodic. The effectiveness of an intramuscular administration of nafiverine was comparable to that of an intravenous administration.
Smiles
C(C(OCCN1CCN(CCOC(C(C)C=2C3=C(C=CC2)C=CC=C3)=O)CC1)=O)(C)C=4C5=C(C=CC4)C=CC=C5
Molecular Formula
C34H38N2O4
Molecular Weight
538.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,1'-(1,4-Piperazinediyldi-2,1-ethanediyl) bis(alpha-methyl-1-naphthaleneacetate)

Nafiverine is a member of naphthalenes.

CAS Number5061-22-3
PubChem CID21137
IUPAC Name2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate
Molecular FormulaC34H38N2O4
Molecular Weight538.7
XLogP6.7
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity746
SMILES
CC(C1=CC=CC2=CC=CC=C21)C(=O)OCCN3CCN(CC3)CCOC(=O)C(C)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3
InChIKey
ZLFQARCCMWUSQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(1,4-Piperazinediyldi-2,1-ethanediyl) bis(alpha-methyl-1-naphthaleneacetate)
CAS: 5061-22-3
CID: 21137
Formula: C34H38N2O4
MW: 538.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.7
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass538.28315770
Monoisotopic Mass538.28315770
Topological Polar Surface Area59.1 Ų
Heavy Atom Count40
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-120695Nafiverine

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