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Thiamine pyrophosphate

Thiamine pyrophosphate structure

CAS No:
154-87-0
Formula:
C12H19N4O7P2S.Cl
Chemical Name:
Thiamine pyrophosphate
Synonyms:
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride (1:1);Thiamine,trihydrogen pyrophosphate (ester);Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride,P,P′-dioxide;Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-,chloride;Berolase;Biosyth;Bioxilasi;Bivitasi;Cocarbina;Cocarboxylase;TDP;Thiamine diphosphate;Thiamine diphosphate ester chloride;Thiamine diphosphoric acid ester chloride;Thiamine pyrophosphate;Thiamine pyrophosphate chloride;Thiamine pyrophosphoric acid ester chloride;Thiamine pyrophosphoric ester;Diphosphothiamine;Thiamine pyrophosphate hydrochloride;Thiamine-PP;Pyruvodehydrase;Farmaneurina;B-Neurox;Cocarboxil;Co-B1;Pyrolase;Coenbione;Thiamin pyrophosphate;Diphosphothiamin;TDP (thiamin ester);Metabolase;Nutrase;Coxylase;TPP;TPP (coenzyme);Vitamin B1 pyrophosphate chloride;55056-45-6;74992-00-0;902463-63-2
Categories:
Cosmetic Ingredient > Skin Conditioning

Description

The active coenzyme form of vitamin B1 which functions in aldehyde transfer reactions.

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.|The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.

Thiamine pyrophosphate Basic Attributes

Molecular Weight：

460.77

Exact Mass：

460.013824

EC Number：

205-230-7

UNII：

XMK8K8EVIU

DSSTox ID：

DTXSID6046262

HScode：

29362200

Characteristics

PSA：

197

Melting Point：

238-240 °C (decomp)

Water Solubility：

It is soluble in water.

Storage Conditions：

2-8°C

Toxicity：

LD50 intramuscular in mouse: > 1gm/kg

Collision Cross Section：

182 Å² [M]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|181.8 Å² [M]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|186.8 Å² [M+Na-H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|178.2 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1759

wgk germany：

hazard class code：

R22

safety instructions：

22-24/25

RTECS Number：

XI7552000

Drug Information

MeSH：

A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)

MeSH Entry Terms：

Berolase

Thiamine pyrophosphate Use and Manufacturing

Uses

decarboxylation mechanisms in biological systems,and to investigate radical reactions of thiamin pyrophosphate in 2-oxoacid oxidoreductases.

Manufacturing Info：

Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1): ACTIVE

Computed Properties

Molecular Weight:460.77
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:460.0138218
Monoisotopic Mass:460.0138218
Topological Polar Surface Area:197
Heavy Atom Count:27
Complexity:568
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Learn More Other Chemicals

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532-40-1
Trisodium pyrophosphate

14691-80-6
BIS(DIMETHYLVINYLENE) PYROPHOSPHATE

55894-94-5
Stannous pyrophosphate Formula

15578-26-4
Ethyl ThiaMine Formula

3505-34-8
Zinc pyrophosphate Formula

7446-26-6
Potassium pyrophosphate trihydrate Structure

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Copper Pyrophosphate Structure

16570-28-8
What is Pyrophosphate

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What is Sodium pyrophosphate decahydrate

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Guide of Thiamine pyrophosphate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Thiamine pyrophosphate

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