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The Nicotinyl alcohol D-tartrate, with the CAS registry number 6164-87-0, is also known as Pyridin-3-ylmethanol (2R, 3R)-2, 3-dihydroxysuccinate. Its EINECS registry number is 228-199-1. This chemical's molecular formula is C10H13NO7 and molecular weight is 259.21. What's more, its IUPAC name is (2R, 3R)-2, 3-Dihydroxybutanedioic acid; pyridin-3-ylmethanol. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties about Nicotinyl alcohol D-tartrate are: (1)H-Bond Donor: 5; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 4; (4)Exact Mass: 259.069202; (5)MonoIsotopic Mass: 259.069202; (6)Topological Polar Surface Area: 148; (7)Heavy Atom Count: 18; (8)Formal Charge: 0; (9)Complexity: 199; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 2; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1) Canonical SMILES: C1=CC(=CN=C1)CO.C(C(C(=O)O)O)(C(=O)O)O
(2) Isomeric SMILES: C1=CC(=CN=C1)CO.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
(3) InChI: InChI=1S/C6H7NO.C4H6O6/c8-5-6-2-1-3-7-4-6;5-1(3(7)8)2(6)4(9)10/h1-4,8H,
5H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
(4) InChIKey: NPORIZAYKBQYLF-LREBCSMRSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1410mg/kg (1410mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | Pharmaceutical Chemistry Journal Vol. 18, Pg. 175, 1984. |
mouse | LD50 | intravenous | 1600mg/kg (1600mg/kg) | Drugs in Japan Vol. -, Pg. 778, 1990. | |
mouse | LD50 | oral | 3300mg/kg (3300mg/kg) | Yakkyoku. Pharmacy. Vol. 27, Pg. 1401, 1976. | |
mouse | LD50 | subcutaneous | 1980mg/kg (1980mg/kg) | Drugs in Japan Vol. -, Pg. 778, 1990. | |
rat | LD50 | intravenous | 1540mg/kg (1540mg/kg) | Drugs in Japan Vol. -, Pg. 778, 1990. | |
rat | LD50 | oral | 5790mg/kg (5790mg/kg) | Drugs in Japan Vol. -, Pg. 778, 1990. | |
rat | LD50 | subcutaneous | 1680mg/kg (1680mg/kg) | Drugs in Japan Vol. -, Pg. 778, 1990. |