BIAdb 1-Benzylisoquinoline 1022
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/str.php?id=23345&show=SHOW-2D Show 2-D Structure] | [http://crdd.osdd.net/raghava/biadb/str.php?id=23345&show=SHOW-2D Show 2-D Structure] | ||
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{{Drugbox | {{Drugbox | ||
| IUPAC_name =1-(phenylmethyl)isoquinoline | | IUPAC_name =1-(phenylmethyl)isoquinoline | ||
| + | |image=Benzylisoquinoline structure.png | ||
| + | | width=250 | ||
| + | | CAS_number = 6907-59-1 | ||
| PubChem = 23345 | | PubChem = 23345 | ||
| DrugBank = | | DrugBank = | ||
| - | | ChemSpiderID = | + | | ChemSpiderID = 21830 |
| chemical_formula =C<sub>1</sub><sub>6</sub>H<sub>1</sub><sub>3</sub>N | | chemical_formula =C<sub>1</sub><sub>6</sub>H<sub>1</sub><sub>3</sub>N | ||
| - | | molecular_weight = 219.28112 | + | | molecular_weight = 219.28112 |
| - | | smiles = | + | | smiles = N/A |
| - | | synonyms = | + | | synonyms = 1-(phenylmethyl)isoquinoline |
| density = | | density = | ||
| melting_point = | | melting_point = | ||
Revision as of 08:14, 30 November 2009
| |
| BIAdb 1-Benzylisoquinoline 1022
| |
| Systematic (IUPAC) name | |
| 1-(phenylmethyl)isoquinoline | |
| Identifiers | |
| CAS number | |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C16H13N |
| Mol. mass | 219.28112 |
| SMILES | & |
| Synonyms | 1-(phenylmethyl)isoquinoline |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
Description
Source
N/A
Function
Unknown
General Properties
*Molecular Weight
219.28112
*Exact Mass
219.104799
*Molecular Formula
C16H13N
*IUPAC NAME
1-(phenylmethyl)isoquinoline
*Canonical Smiles
C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32
*Isomeric Smiles
N/A
*XLogP
4.1
*Hydrogen bond donor
0
*Hydrogen bond acceptor
1
*Rotational Bond Count
2
*Topological Polar Surface Area
12.9
