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Terbinafine EP Impurity E

CAT: 1596-AR-T03511-01Size: 150Dry Ice: NoHazardous: No
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CAS Number
934365-23-8
Synonyms
(2E,4E) -4- (4,4-Dimethyl-2-pentyn-1-ylidene) -N1, N5-dimethyl-N1, N5-bis (1-naphthalenylmethyl) -2-pentene-1,5-diamine
Molecular Formula
C36H40N2
Molecular Weight
500.72
API Name
Terbinafine

Chemical Information

(2E,4E)-4-(4,4-Dimethyl-2-pentyn-1-ylidene)-N1,N5-dimethyl-N1,N5-bis(1-naphthalenylmethyl)-2-pentene-1,5-diamine
CAS Number934365-23-8
PubChem CID11420652
IUPAC Name(E,4E)-4-(4,4-dimethylpent-2-ynylidene)-N,N'-dimethyl-N,N'-bis(naphthalen-1-ylmethyl)pent-2-ene-1,5-diamine
Molecular FormulaC36H40N2
Molecular Weight500.7
XLogP9.1
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity848
SMILES
CC(C)(C)C#C/C=C(/CN(C)CC1=CC=CC2=CC=CC=C21)\C=C\CN(C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C36H40N2/c1-36(2,3)24-12-14-29(26-38(5)28-33-21-11-19-31-17-7-9-23-35(31)33)15-13-25-37(4)27-32-20-10-18-30-16-6-8-22-34(30)32/h6-11,13-23H,25-28H2,1-5H3/b15-13+,29-14+
InChIKey
YZZQDUPUWRZTLM-YQGGXCSUSA-N
Chemical Structure
2D Structure
2D structure of (2E,4E)-4-(4,4-Dimethyl-2-pentyn-1-ylidene)-N1,N5-dimethyl-N1,N5-bis(1-naphthalenylmethyl)-2-pentene-1,5-diamine
CAS: 934365-23-8
CID: 11420652
Formula: C36H40N2
MW: 500.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.7
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass500.319149284
Monoisotopic Mass500.319149284
Topological Polar Surface Area6.5 Ų
Heavy Atom Count38
Formal Charge0
Complexity848
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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