Piperacetazine

CAT: 0127-BUP10017-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10017-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

3819-00-9

Synonyms

Psymod, Piperacetazinum, Quide

Purity

=98%

Smiles

CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1

Chemical Information

Piperacetazine

1-[10-[3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl]-2-phenothiazinyl]ethanone is a member of phenothiazines.

CAS Number	3819-00-9
PubChem CID	19675
IUPAC Name	1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
Molecular Formula	C24H30N2O2S
Molecular Weight	410.6
XLogP	4
Topological Polar Surface Area	69.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	537

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO

InChI

InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3

InChIKey

BTFMCMVEUCGQDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3819-00-9

CID: 19675

Formula: C24H30N2O2S

MW: 410.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.6
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	410.20279938
Monoisotopic Mass	410.20279938
Topological Polar Surface Area	69.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	537
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C04777-5mg	Piperacetazine