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Reference substances

Reference substances

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General information

Inventory

EC number:
200-607-2
EC name:
Nicotine dihydrogen ditartrate
CAS number:
65-31-6

No inventory information available

Reference substance information

Synonyms
Names:
Nicotine,_tartrate_(1:2)
Identifier:
CAS number
6019-06-3
Identifier:
CAS number
65-31-6
Identifier:
IUPAC name
(S)-(-)-1-Methyl-2-(3-pyridyl)pyrrolidine (+)-ditartrate salt
Identifier:
IUPAC name
3-(1-methylpyrrolidin-2-yl)pyridine 2,3-dihydroxysuccinate (salt)
Identifier:
IUPAC name
3-(1-methylpyrrolidin-2-yl)pyridine 2,3-dihydroxysuccinate dihydrate (salt)
Identifier:
other: Molecular formula
C10H14N2.2C4H6O6
Identifier:
other: Molecular formula
C18H26N2O12, 2H2O
Identifier:
other: SMILES notation
CN1CCCC1c2cccnc2.OC(C(O)C(=O)O)C(=O)O
Identifier:
other: InChl
InChI=1/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
Identifier:
other: InChl
InChI=1/C17H15ClN2O3/c1-9(2)16(22)19-11-4-5-14(21)12(8-11)17-20-13-7-10(18)3-6-15(13)23-17/h3-9,20H,1-2H3,(H,19,22)/b17-12-
nicotine dihydrogen ditartrate

CAS information

CAS number:
65-31-6

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
65-31-6

Molecular and structural information

Molecular formula:
C10-H14-N2.2C4-H6-O6
Molecular weight:
462.4
SMILES notation:
CN1CCC[C@H]1c2cccnc2.O[C@H]([C@@H](O)C(=O)O)C(=O)O.O[C@H]([C@@H](O)C(=O)O)C(=O)O
InChl:
1S/C10H14N2.2C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t10-;2*1-,2-/m011/s1
Structural formula:
Chemical structure