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Acepromazine

C19H22N2OS — CID 6077

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNOSIYYJFMPDDSA-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.44
Rot. Bonds5

About Acepromazine

Acepromazine (PubChem CID 6077) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.

Molecular Properties

Compound NameAcepromazine
PubChem CID6077
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNOSIYYJFMPDDSA-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propiomazine
CID 4940
Butaperazine
CID 12598
Piperacetazine
CID 19675
Carphenazine
CID 18104
Acepromazine Maleate
CID 6420038
Propionylpromazine
CID 24352
Aceprometazine
CID 26035
Acetophenazine
CID 17676
Acetophenazine Maleate
CID 5281082
Carphenazine Maleate
CID 6433356

Frequently Asked Questions

What is the IUPAC name of Acepromazine?
The IUPAC name of Acepromazine (CID 6077) is 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.
What is the SMILES notation for Acepromazine?
The canonical SMILES for Acepromazine is CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of Acepromazine?
The InChIKey is NOSIYYJFMPDDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of Acepromazine?
Acepromazine has a molecular weight of 326.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Acepromazine is sourced from PubChem (CID 6077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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