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Chemistry

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Also known as: Thiamine disulfide [jan], Ujv8k21ykl, 67-16-3, Thiamine disulfide (jan), Algoneurina, Daiomin
Molecular Formula
C24H34N8O4S2
Molecular Weight
562.7  g/mol
InChI Key
GFEGEDUIIYDMOX-BMJUYKDLSA-N
FDA UNII
UJV8K21YKL

Thiamine Disulfide
1 2D Structure

Thiamine Disulfide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
2.1.2 InChI
InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15-,22-16-
2.1.3 InChI Key
GFEGEDUIIYDMOX-BMJUYKDLSA-N
2.1.4 Canonical SMILES
CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C
2.1.5 Isomeric SMILES
CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O
2.2 Other Identifiers
2.2.1 UNII
UJV8K21YKL
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N,n'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(n-((4-amino-2-methyl-5-pyrimidinyl)-methyl)formamide)

2. Thiamine Disulphide

2.3.2 Depositor-Supplied Synonyms

1. Thiamine Disulfide [jan]

2. Ujv8k21ykl

3. 67-16-3

4. Thiamine Disulfide (jan)

5. Algoneurina

6. Daiomin

7. Aneurin Disulfide

8. Thiamine Disulfide(tds)

9. Unii-ujv8k21ykl

10. Thiaminedisulfide

11. Tds

12. Einecs 200-644-4

13. Allynate F (tn)

14. Vitamin B1 Disulfide

15. Schembl397372

16. Chembl416503

17. Thiamine Disulfide [mi]

18. Thiamine Disulfide [who-dd]

19. Zinc3873942

20. Akos015963367

21. Ac-19866

22. N,n'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl)bis(n-(4-amino-2-methyl-5-pyrimidinyl)methyl))formamide

23. C18377

24. D03299

25. 100502-51-0

26. N,n'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl))bis(n-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide)

27. N,n'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl))bis(n-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide), (z,z)

28. N,n'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(n-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 562.7 g/mol
Molecular Formula C24H34N8O4S2
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass562.21444394 g/mol
Monoisotopic Mass562.21444394 g/mol
Topological Polar Surface Area235 Ų
Heavy Atom Count38
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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01

YUNG ZIP CHEMICAL INDUSTRIAL

Taiwan

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

AES 2024
Not Confirmed
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02

PROCTER AND GAMBLE

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

AES 2024
Not Confirmed
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PROCTER AND GAMBLE

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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AES 2024
Not Confirmed
USDMF CEP/COS JDMF EU-WCInactive-api NDC KDMF VMF Others AUDIT
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03

Merck & Co

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

AES 2024
Not Confirmed
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Merck & Co

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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AES 2024
Not Confirmed
USDMF CEP/COS JDMF EU-WCInactive-api NDC KDMF VMF Others AUDIT
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01

Antibody Engineering
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Antibody Engineering
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Thiamine Disulfide

About the Company : Through years' researching and improving, Yung Zip Chemical had laid the groundwork for the technology and quality, also started expanding its business scope, Yung Zip started serv...

Through years' researching and improving, Yung Zip Chemical had laid the groundwork for the technology and quality, also started expanding its business scope, Yung Zip started serving and supplying the APIs to other domestic pharmaceutical industries, and earned a foremost position in bulk pharmaceutical chemical industry in Taiwan. It was an important foundation for Yung Zip to step into international market and become an international company.
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API Reference Price

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19-Jan-2021
01-Aug-2024
KGS
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