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162640-98-4 | Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-
CAS No: 162640-98-4 Catalog No: AG001TA4 MDL No:MFCD18086874
Product Description
Catalog Number:
AG001TA4
Chemical Name:
Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-
CAS Number:
162640-98-4
Molecular Formula:
C25H27N5
Molecular Weight:
397.5154
MDL Number:
MFCD18086874
IUPAC Name:
1-[4-(2H-tetrazol-5-yl)butyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
InChI:
InChI=1S/C25H27N5/c1-3-9-22-19(7-1)12-13-20-8-2-4-10-23(20)25(22)21-14-17-30(18-15-21)16-6-5-11-24-26-28-29-27-24/h1-4,7-10,12-13H,5-6,11,14-18H2,(H,26,27,28,29)
InChI Key:
LQNGMDUIRLSESZ-UHFFFAOYSA-N
SMILES:
C(CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1)CCc1n[nH]nn1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.227g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.526g/mol
Monoisotopic Mass:
397.227g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Competitive enzymatic interactions determine the relative amounts of prostaglandins E2 and D2. | The Journal of pharmacology and experimental therapeutics 20111101 |
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