Celgosivir hydrochloride

CAT: 0931-T10755-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T10755-01Size:2 mg

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

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CAS Number

141117-12-6

Target

Others, HIV Protease, HCV Protease, Glucosidase, Anti-infection, glycosidase

Related Pathways

Metabolism, Microbiology/Virology, Others, Proteases/Proteasome

Bioactivity

Celgosivir hydrochloride (MBI 3253 hydrochloride) is an α-glucosidase I inhibitor and inhibits bovine viral diarrhoea virus (BVDV) (IC50: 1.27 μM) .

Smiles

Cl.[H][C@]12[C@@H](O)CCN1C[C@H](OC(=O)CCC)[C@@H](O)[C@@H]2O

Molecular Formula

C12H22ClNO5

Molecular Weight

295.76

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Celgosivir Hydrochloride

See also: Celgosivir (has active moiety).

CAS Number	141117-12-6
PubChem CID	3033824
IUPAC Name	[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate;hydrochloride
Molecular Formula	C12H22ClNO5
Molecular Weight	295.76
Topological Polar Surface Area	90.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	311

SMILES

CCCC(=O)O[C@H]1CN2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O.Cl

InChI

InChI=1S/C12H21NO5.ClH/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16;/h7-8,10-12,14,16-17H,2-6H2,1H3;1H/t7-,8-,10+,11+,12+;/m0./s1

InChIKey

KXNZMBFOWDNCRU-QVMZSJACSA-N

Chemical Structure

2D Structure

CAS: 141117-12-6

CID: 3033824

Formula: C12H22ClNO5

MW: 295.76

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	295.76
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	295.1186505
Monoisotopic Mass	295.1186505
Topological Polar Surface Area	90.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-16134A-01	Celgosivir (hydrochloride)
CS-O-43560	Celgosivir hydrochloride
444167-01	Celgosivir
A13118-1	Celgosivir 1mg
A13118-25	Celgosivir 25mg
A13118-5	Celgosivir 5mg
A13118-2	Celgosivir 2mg
A13118-100	Celgosivir 100mg
A13118-500	Celgosivir 500mg
A13118-50	Celgosivir 50mg

Celgosivir hydrochloride

Chemical Information

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