BIAdb CID5361182 1761
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1761 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1761 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb CID5361182 1761
| |
| Systematic (IUPAC) name | |
| (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[2-(2-morpholin-4-ium-4-ylethyl-phenylamino)-2-oxoethoxy]azanium dichloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C34H40Cl2N4O7 |
| Mol. mass | 687.61 |
| 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
687.61
*Exact Mass
686.227405
*Molecular Formula
C34H40Cl2N4O7
*IUPAC NAME
(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[2-(2-morpholin-4-ium-4-ylethyl-phenylamino)-2-oxoethoxy]azanium dichloride
*Canonical Smiles
COC1=C(C=C(C=C1)C(=[NH+]OCC(=O)N(CC[NH+]2CCOCC2)C3=CC=CC=C3)C4=NC=CC5=CC(=C(C=C54)OC)OC)OC.[Cl-].[Cl-]
*Isomeric Smiles
COC1=C(C=C(C=C1)/C(=[NH+]OCC(=O)N(CC[NH+]2CCOCC2)C3=CC=CC=C3)/C4=NC=CC5=CC(=C(C=C54)OC)OC)OC.[Cl-].[Cl-]
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
10
*Rotational Bond Count
13
*Topological Polar Surface Area
107
