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Pilocarpine Nitrate

CAT: 0572-TRC-P441505-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P441505-5GSize:5 g
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CAS Number
148-72-1
Synonyms
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, nitrate (1:1); 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, mononitrate (9CI); 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-, mononitrate; Pilocarpine, mononitrate (8CI); (+)-Pilocarpine nitrate; Pilagan; Pilocarpine nitrate; Pilocarpine subnitrate
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Smiles
CC[C@H]1[C@@H](Cc2cncn2C)COC1=O.O[N+](=O)[O-]
Molecular Formula
C11 H16 N2 O2 . H N O3
Molecular Weight
271.27
InChI
InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
Additionnal Information
IUPAC name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;nitric acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pilocarpine Nitrate

See also: Pilocarpine (has active moiety); Pilocarpine Hydrochloride (related).

CAS Number148-72-1
PubChem CID657349
IUPAC Name(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;nitric acid
Molecular FormulaC11H17N3O5
Molecular Weight271.27
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity269
SMILES
CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-]
InChI
InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
InChIKey
PRZXEPJJHQYOGF-GNAZCLTHSA-N
Chemical Structure
2D Structure
2D structure of Pilocarpine Nitrate
CAS: 148-72-1
CID: 657349
Formula: C11H17N3O5
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.27
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass271.11682065
Monoisotopic Mass271.11682065
Topological Polar Surface Area110 Ų
Heavy Atom Count19
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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MBS575368Pilocarpine nitrate
HY-B1006-01Pilocarpine (nitrate)
sc-250722Pilocarpine nitrate salt
HY-B1006R-01Pilocarpine (nitrate) (Standard)
HY-B0726A-01Pilocarpine
B1816-500Pilocarpine HCl
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M14967-01(+) -Pilocarpine hydrochloride

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