154-87-0
Product Name:
Cocarboxylase
Formula:
C12H19ClN4O7P2S
Synonyms:
Cocarboxylase;Thiamine pyrophosphate;Thiamine pyrophosphate chloride;Cocarboxylase chloride;Thiaminium diphosphoric acid ester chloride, Thiaminium pyrophosphate chloride, Thiaminium pyrophosphoric acid ester chloride, TPP
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless or white solid; [EFSA] White powder; [Alfa Aesar MSDS] |
|---|---|
| Collision Cross Section | 182 Ų [M]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 460.77 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 460.0138218 g/mol |
| Monoisotopic Mass | 460.0138218 g/mol |
| Topological Polar Surface Area | 197 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 568 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Thiamine(1+) diphosphate chloride is an organic chloride salt of thiamine(1+) diphosphate. It is an organic chloride salt and a vitamin B1. It contains a thiamine(1+) diphosphate.