BIAdb SOMA COMPOUND W/ CODEINE 3227

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BIAdb SOMA COMPOUND W/ CODEINE 3227
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24847792
Chemical data
Formula	C₃₉H₅₆N₃O₁₅P
Mol. mass	837.846801
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

837.846801

*Exact Mass

837.344905

*Molecular Formula

C₃₉H₅₆N₃O₁₅P

*IUPAC NAME

N/A

*Canonical Smiles

CCCC(C)(COC(=O)N)COC(=O)NC(C)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O

*Isomeric Smiles

CCCC(C)(COC(=O)N)COC(=O)NC(C)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O

*XLogP

N/A

*Hydrogen bond donor

7

*Hydrogen bond acceptor

16

*Rotational Bond Count

13

*Topological Polar Surface Area

274