Sinbaglustat

CAT: 0127-BUP05189-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05189-02Size:10 mg

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

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CAS Number

441061-33-2

Synonyms

ACT-519276, Sinbaglustat, OGT2378

Purity

=98%

Smiles

CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO

Chemical Information

Sinbaglustat

an antineopl agent; structure in first source

CAS Number	441061-33-2
PubChem CID	9859470
IUPAC Name	(2S,3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol
Molecular Formula	C11H23NO4
Molecular Weight	233.30
XLogP	-0.1
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	202

SMILES

CCCCCN1C[C@@H]([C@H]([C@@H]([C@@H]1CO)O)O)O

InChI

InChI=1S/C11H23NO4/c1-2-3-4-5-12-6-9(14)11(16)10(15)8(12)7-13/h8-11,13-16H,2-7H2,1H3/t8-,9-,10+,11+/m0/s1

InChIKey

HCZQIIVHWYFIPW-UKKRHICBSA-N

Chemical Structure

2D Structure

CAS: 441061-33-2

CID: 9859470

Formula: C11H23NO4

MW: 233.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.30
XLogP3	-0.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	233.16270821
Monoisotopic Mass	233.16270821
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
BA8493-5.1	Sinbaglustat