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Caramiphen (edisylate)

CAT: 0013-GTR19273779-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273779-01Size:10 mg
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Description
Caramiphen edisylate (Parpanil edisylate) is an anticholinergic compound with NMDA receptor antagonist activity. It is used to inhibit diseases associated with cholinergic neurotransmission. Caramiphen edisylate exerts its pharmacological effects by blocking cholinergic activity.
CAS Number
125-86-0
Smiles
O=C (C1 (CCCC1) C2=CC=CC=C2) OCCN (CC) CC.O=S (O) (CCS (=O) (O) =O) =O.O=C (C3 (CCCC3) C4=CC=CC=C4) OCCN (CC) CC
Molecular Formula
C18H27NO2.1/2C2H6O6S2
Molecular Weight
384.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Caramiphen Edisylate

anticholinergic and antiglutamatergic; antidote against organophosphate poisoning

CAS Number125-86-0
PubChem CID517304
IUPAC Namebis(2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate);ethane-1,2-disulfonic acid
Molecular FormulaC38H60N2O10S2
Molecular Weight769.0
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count52
Formal Charge0
Complexity552
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/2C18H27NO2.C2H6O6S2/c2*1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;3-9(4,5)1-2-10(6,7)8/h2*5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey
BANIDACEBXZGNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Caramiphen Edisylate
CAS: 125-86-0
CID: 517304
Formula: C38H60N2O10S2
MW: 769.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight769.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass768.36893846
Monoisotopic Mass768.36893846
Topological Polar Surface Area185 Ų
Heavy Atom Count52
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes