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Pilocarpine nitrate

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

Pilocarpine nitrate
SpectraBase Compound ID HSxd5ilupGO
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
Mol Weight 271.27 g/mol
Molecular Formula C11H17N3O5
Exact Mass 271.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pVnuc9uKij
Name (3S,4R)-3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-dihydro-furan-2-one nitrate
CAS Registry Number 148-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N3O5
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
Molecular Weight 271.273 g/mol
SMILES c1([n](cnc1)C)C[C@@]1([C@@](C(=O)OC1)(CC)[H])[H].O[N+]([O-])=O
SPLASH splash10-0002-9100000000-df72ccc4382ef47d757d
Synonyms 2(3H)-furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S,4R)-, mononitrate 2(3H)-furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S-cis)-, mononitrate 3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydro-2(3H)-furanone 3-Ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one 5-(4-Ethyl-5-oxo-tetrahydro-furan-3-ylmethyl)-1-methyl-1H-imidazol-1-ium 5-[(4-ethyl-5-oxotetrahydro-3-furanyl)methyl]-1-methyl-2H-imidazol-1-ium nitrate Almocarpine Epicar Isoptocarpine P. v. carpine liquifilm P113 Pilagan Pilocarpine Pilocarpine nitrate Pilocarpine, mononitrate Pilofrin AIDS-011876 EINECS 205-723-7 NSC 5746
Wiley ID 1510421