BIAdb Propain 2965

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BIAdb Propain 2965
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5492657
Chemical data
Formula	C51H65ClN7O12P
Mol. mass	1034.528261
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

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

1034.528261

*Exact Mass

1033.411735

*Molecular Formula

C₅₁H₆₅ClN₇O₁₂P

*IUPAC NAME

N/A

*Canonical Smiles

CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl

*Isomeric Smiles

CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl

*XLogP

N/A

*Hydrogen bond donor

7

*Hydrogen bond acceptor

15

*Rotational Bond Count

8

*Topological Polar Surface Area

240

[edit] External Links

• Pubchem

Link to BIAdb Database