5.00667

Thiamine phosphoric acid ester chloride dihydrate

EMPROVE^® API

• Synonym(s): Thiamine monophosphate chloride dihydrate, [Thiaminium dihydrogen phosphate chloride (estersalt)], Aneurine monophosphate chloride
• Empirical Formula (Hill Notation): C₁₂H₁₈ClN₄O₄PS · 2H₂O
• CAS Number: 273724-21-3
• Molecular Weight: 416.82
• Beilstein: 3844977
• MDL number: MFCD00063473
• UNSPSC Code: 12352107
• EC Index Number: 208-536-9

Properties

• vapor pressure: <1 Pa ( 50 °C)
• Quality Level: 600
• product line: EMPROVE^® API
• form: solid
• pH: 2-3 (20 °C, 100 g/L in H₂O)
• mp: 135 °C (decomposition)
• solubility: 176 g/L
• density: 1.53 g/cm³ at 20 °C
• bulk density: 670 kg/m³
• application(s): liquid formulation; pharmaceutical; semi-solid formulation; solid formulation
• storage temp.: 2-25°C
• SMILES string: [Cl-].Cc1ncc(C[n+]2csc(CCOP(O)(O)=O)c2C)c(N)n1
• InChI: 1S/C12H17N4O4PS.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H
• InChI key: GUGWNSHJDUEHNJ-UHFFFAOYSA-N

Description

General description

We provide industry-leading production know-how and comprehensive regulatory support for high-quality APIs, backed by nearly 200 years of experience. From a complete portfolio of innovative folates to custom synthesis, our customized and scalable solutions meet your specific production needs. As part of our EMPROVE^® Program, our raw materials are offered with extensive documentation facilitating compliance of your pharma and biopharma product, full supply chain transparency and risk mitigation. Our SAFC^® portfolio of high-quality products for biopharmaceutical and pharmaceutical formulation and production withstands strict quality control procedures and is produced according to applicable cGMP guidelines.

Application

Thiamine phosphoric acid ester chloride dihydrate is a source for Vitamin B1 for use in clinical nutrition, vitamin supplements and infusion for Vitamin B1 deficiency. Thiamine phosphoric acid ester chloride dihydrate Emprove^® API is manufactured according to ICH Q7 guidelines. An ASMF is available.
This product is part of our proprietary Viscosity Reduction Platform and suitable for highly concentrated protein-based formulations.

Legal Information

Emprove is a registered trademark of Merck KGaA, Darmstadt, Germany

SAFC is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H317
• Precautionary Statements: P261 - P272 - P280 - P302 + P352 - P333 + P313 - P362 + P364
• Hazard Classifications: Skin Sens. 1
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable