Merck
All Photos(1)

5.00667

SAFC

Thiamine phosphoric acid ester chloride dihydrate

EMPROVE® API

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

Quality Level

vapor pressure

<1 Pa ( 50 °C)

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

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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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

What is the Emprove® Program?

The Emprove® Program is a system providing comprehensive and thorough documentation of our filters and single-use components, pharma raw materials, and starting materials.

Elemental Impurities Information

Available by subscription or for a fee

API Information Package

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Why are these documents unavailable?
Emprove® Dossiers contain information intended to support the registration process and risk assessment activities of pharmaceutical producers and contain confidential information. Please contact us if you would like access.

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