CAS
94291-96-0 Purity
96%
94291-96-0 Purity
96%
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10-[3-(4-Hydroxy-1-piperidino)propyl]-10H-phenothiazine-2-carbonitrile monomethanesulfonate
CAS
94291-99-3
Catalog Number
ACM94291993
Category
Other Products
Molecular Weight
443.582200 [g/mol]
Molecular Formula
C21H23N3OS.CH4O3S
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Specification
Synonyms
EINECS 304-927-4, 10-(3-(4-Hydroxy-1-piperidino)propyl)-10H-phenothiazine-2-carbonitrile monomethanesulphonate, 94291-99-3
IUPAC Name
[1-[3-(2-cyanophenothiazin-10-yl)propyl]piperidin-4-yl] methanesulfonate
Canonical SMILES
CS(=O)(=O)OC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N
InChI Key
PDQWUEWUXRSQML-UHFFFAOYSA-N
EC Number
304-927-4
Exact Mass
443.13400
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44150934?
The molecular formula is C22H25N3O3S2.
What is the molecular weight of the compound?
The molecular weight is 443.6 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [1-[3-(2-cyanophenothiazin-10-yl)propyl]piperidin-4-yl] methanesulfonate.
What is the InChIKey of the compound?
The InChIKey is PDQWUEWUXRSQML-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 107 Ų.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3 value of the compound?
The XLogP3 value is 3.6.
What is the CAS number of the compound?
The CAS number is 94291-99-3.
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