BIAdb Papaverine adenylate 2907
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2907 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2907 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Papaverine adenylate 2907
| |
| Systematic (IUPAC) name | |
| [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyldihydrogen phosphate;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C30H35N6O11P |
| Mol. mass | 686.606261 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
686.606261
*Exact Mass
686.210143
*Molecular Formula
C30H35N6O11P
*IUPAC NAME
[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyldihydrogen phosphate;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
*Canonical Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
*Isomeric Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
*XLogP
N/A
*Hydrogen bond donor
5
*Hydrogen bond acceptor
16
*Rotational Bond Count
10
*Topological Polar Surface Area
236
