Allocryptopine
From DrugPedia: A Wikipedia for Drug discovery
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| IUPAC_name =N/A | | IUPAC_name =N/A | ||
| PubChem = 98570 | | PubChem = 98570 | ||
| + | | CAS no. = 485-91-6 | ||
| DrugBank = | | DrugBank = | ||
| ChemSpiderID = | | ChemSpiderID = | ||
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| synonyms = | | synonyms = | ||
| density = | | density = | ||
| - | | melting_point = | + | | melting_point = 160.5C |
| boiling_point = | | boiling_point = | ||
| solubility = | | solubility = | ||
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==Description== | ==Description== | ||
induces muscle contraction and relaxation in urinary bladder and ileum, respectively | induces muscle contraction and relaxation in urinary bladder and ileum, respectively | ||
| + | ==Synthesis== | ||
| + | (S)-n-methylcanadine + NADPH + O2 = allocryptopine + NADP<sup>+</sup> + H2O | ||
==General Properties== | ==General Properties== | ||
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57.2 | 57.2 | ||
| - | + | ==Function== | |
| + | oxytocic agent | ||
==External Links== | ==External Links== | ||
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2143 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2143 Link to BIAdb Database] | ||
| + | |||
| + | [[category : alkaloids]] | ||
Revision as of 09:22, 30 April 2009
| Allocryptopine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H23NO5 |
| Mol. mass | 369.41102 |
| SMILES | & |
| Physical data | |
| Melt. point | 160.5C °C |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
Description
induces muscle contraction and relaxation in urinary bladder and ileum, respectively
Synthesis
(S)-n-methylcanadine + NADPH + O2 = allocryptopine + NADP+ + H2O
General Properties
*Molecular Weight
369.41102
*Molecular Formula
C21H23NO5
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
*Isomeric Smiles
N/A
*XLogP
2.3
*Topological Polar Surface Area
57.2
Function
oxytocic agent
