BIAdb Bromanyl 1617

BIAdb Bromanyl 1617
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24847822
Chemical data
Formula	C₃₅H₄₅BrClN₂O₈P
Mol. mass	768.071161
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

768.071161

*Exact Mass

766.178543

*Molecular Formula

C₃₅H₄₅BrClN₂O₈P

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.OP(=O)(O)O.[Cl-]

*Isomeric Smiles

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br.OP(=O)(O)O.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

5

*Hydrogen bond acceptor

10

*Rotational Bond Count

7

*Topological Polar Surface Area

133