AG003URT

67-03-8 | Aneurine hydrochloride

AG003URT

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CAS Number	67-03-8
Catalog Number	AG003URT(AGN-PC-0TN1GQ)
Chemical Name	Aneurine hydrochloride
FEMA Number	3322
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI	InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
MDL Number	MFCD00012780
Molecular Formula	C12H18Cl2N4OS
Molecular Weight	337.2685
NSC Number	36226
SMILES	CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.[H]Cl.[Cl-]
UNII	M572600E5P
Synonyms	Aneurin, Mononitrate, Thiamine, Thiamin, Thiamine, Thiamine Mononitrate, Vitamin B 1, Vitamin B1, THIAMINE HYDROCHLORIDE, 67-03-8, Thiamine HCL, Aneurine hydrochloride, Vitamin B1 hydrochloride, vitamin B1, Thiamine dichloride, Thiamine chloride hydrochloride, Trophite, Thiamin chloride, Thiaminium chloride, Beatine, Begiolan, Benerva, Bethiazine, Bevitex, Bevitine, Bithiamin, Bivatin, Clotiamina, Eskapen, Eskaphen, Metabolin, Slowten, Thiaminal, Thiamol, Thiavit, Tiamidon, Tiaminal, Vinothiam, Bedome, Beuion, Bivita, Berin, Biuno, Hybee, Apate drops, Betabion hydrochloride, Lixa-beta, Usaf cb-20, Thiamine chloride, Vetalin S, Vitamin B hydrochloride, Thiaminium chloride hydrochloride, Thiamin hydrochloride, MFCD00012780, thiamine, Betabion, Thiamine monohydrochloride, Thiamine,hydrochloride, Vitamin b(sub 1) hydrochloride, UNII-M572600E5P, Thiamin dichloride, thiamine(2+) dichloride, Thiamine HCl (Vitamin B1), CHEBI:49105, FEMA No. 3322, CCRIS 1906, M572600E5P, CAS-67-03-8, Vitamin B1 hydrochloride (VAN), NCGC00017013-01, EINECS 200-641-8, NSC 36226, 70-16-6, 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride, AI3-18993, Thiamine, monohydrochloride, THD, Thiamine Hydrochloride (Vitamin B1), THIAZOLIUM,3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-5-(2-HYDROXYETHYL)-4-METHYL-, Thiamine hydrochloride, 98.5-101.5%, Thiamine, chloride, hydrochloride, 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan- 1-ol, chloride, chloride, SMR000875246, Thiaminehydrochloride, NSC36226, Thiaminum hydrochloricum, Chloride-hydrochloride salt of thiamine, 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride monohydrochloride, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride, vitamin Bl, Aneurine HCl, Thiamine hydrochloride [USP:JAN], Vitamin b(sup1), 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride (1:1), hydrochloride (1:1), Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- chloride (1:1), hydrochloride (1:1), Prestwick_441, Thiamio hydrochloridum, Thiamine HCL (TN), Thiamine, hydrochloride, I notEuEOB1 NIEaNI, thiamine-hcl-vitamin-b1, Thiazolium, hydrochloride, 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethylthiazolium chloride, monohydrochloride, Ao degrees .EO NIEaNI, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethyl, chloride, monohydrochloride, C12H17ClN4OS.HCl, AC1L1M0I, DSSTox_CID_20622, DSSTox_RID_79516, Thiazolium, monohydrochloride, DSSTox_GSID_40622, SCHEMBL41101, MLS001332447, MLS001332448, Thiamine hydrochloride (USP), AC1Q1S14, CHEMBL1200941, DTXSID0040622, DPJRMOMPQZCRJU-UHFFFAOYSA-M, HMS1569P04, Thiamine, monohydrochloride (8CI), BCP27971, HY-N0680, Tox21_110736, NSC-36226, s3211, SBB001377, Thiamine hydrochloride, p.a., 98%, AKOS015905506, CCG-220677, CS-8164, MCULE-4868090831, KS-00000W98, Thiamine chloride hydrochloride (JP17), NCGC00017013-02, AK151170, AS-14151, K101, SC-18327, ST007553, SY010871, AB0014031, Thiamine hydrochloride, >=98%, FCC, FG, FT-0631293, MFCD00012780 (95%), D02094, Aneurine hydrochloride, Vitamin B1 hydrochloride, Thiamine Hydrochloride (B1), analytical standard, Q-201928, Thiamine hydrochloride, tested according to Ph.Eur., Thiamine hydrochloride, reagent grade, >=99% (HPLC), Thiamine hydrochloride, SAJ special grade, >=98.5%, F0001-2415, F2173-0852, Thiamine hydrochloride, meets USP testing specifications, WLN: T6N CNJ B1 DZ E1- AT5K CSJ D2Q E1 &Q &G &GH, Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water, Thiamine Hydrochloride (Vitamin B1) 1.0 mg/ml in Methanol (as free base), Thiamine hydrochloride, European Pharmacopoeia (EP) Reference Standard, Thiamine hydrochloride, United States Pharmacopeia (USP) Reference Standard, 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloridethiazolium, Thiamine for system suitability, European Pharmacopoeia (EP) Reference Standard, Thiamine hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride hydrochloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium hydrochloride chloride, 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride, Thiamine HCl (Vitamin B1) solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, Thiamine hydrochloride, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, Thiamine hydrochloride, PharmaGrade, EP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, THIAMINE HYDROCHLORIDE; 67-03-8; Aneurine hydrochloride; Thiamine HCL; Vitamin B1 hydrochloride; Thiamine dichloride, Thiadoxine, Vitaneuron, Betaxin, Bequin, Betalin S, Bewon, Vitaneurin, Biamine, Thiamine ion, Troph-Iron, thiamine disulfide, Trophite + Iron, component of Slowten, Antiberiberifaktor HCl, MP SILITECH, D02LDV, antineuritisches Vitamin HCl, UNII-4ABT0J945J, C12H17N4OS.ClH.Cl, Thiamine hydrochloride [JAN], CID6202, Vitamin B1 thiamine hydrochloride, AR-1L8204, C12-H17-N4-O-S.Cl-H.Cl, ACN-036816, CS-O-30783, T0181, Thiamine hydrochloride, 99% - 100G 100g, Thiamine Hydrochloride 99% for biochemistry (Vitamin B1) 10gm, 59-43-8, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, 7347-19-5, Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl) methyl]-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride, Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride, Tiazolio, 3-[(4-amino-2-metil-5-pirimidinil) metil]-5-(2-hidroxietil)-4-metil-cloruro (1:1), clorhidrato (1:1), VB1,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	336.058g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	337.263g/mol
Monoisotopic Mass	336.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number