BIAdb C-Curarine 1695

From DrugPedia: A Wikipedia for Drug discovery

---

Revision as of 00:00, 15 January 2001

Show 3-D Structure

Show 2-D Structure

BIAdb C-Curarine 1695
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5281386
Chemical data
Formula	C40H44N4O+2
Mol. mass	596.80356
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Strychnos usambarensis

Function

Toxic

General Properties

*Molecular Weight

596.80356

*Exact Mass

596.351512

*Molecular Formula

C₄₀H₄₄N₄O+₂

*IUPAC NAME

N/A

*Canonical Smiles

CC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C

*Isomeric Smiles

C/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C

*XLogP

3.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

3

*Rotational Bond Count

0

*Topological Polar Surface Area

15.7

External Links

• Pubchem

• KEGG

Link to BIAdb Database