Bentiamine
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MedKoo CAT#: 581274

CAS#: 299-88-7 (free base)

Description: Bentiamine is also known as Dibenzoyl Thiamine. Dibenzoyl Thiamine (Bentiamine), a derivative of thiamine, is rapidly absorbed into the body and converted to thiamine.


Chemical Structure

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Bentiamine
CAS# 299-88-7 (free base)

Theoretical Analysis

MedKoo Cat#: 581274
Name: Bentiamine
CAS#: 299-88-7 (free base)
Chemical Formula: C26H26N4O4S
Exact Mass: 490.17
Molecular Weight: 490.580
Elemental Analysis: C, 63.66; H, 5.34; N, 11.42; O, 13.05; S, 6.54

Price and Availability

Size Price Availability Quantity
1g USD 200 2 weeks
25g USD 470 2 weeks
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Related CAS #: 299-88-7 (free base)   85187-36-6 (lauryl sulfate)   35660-60-7 (HCl)  

Synonym: Bentiamine; Bentiamina; Bentiaminum; CCRIS 1339; Dibenzoylthiamine; Dibenzoyl Thiamine;

IUPAC/Chemical Name: Benzenecarbothioic acid, S-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl) ester

InChi Key: AZJUFRDUYTYIHV-NKFKGCMQSA-N

InChi Code: InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-

SMILES Code: O=C(C1=CC=CC=C1)S/C(CCOC(C2=CC=CC=C2)=O)=C(N(CC3=CN=C(C)N=C3N)C=O)/C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 490.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Valerio G, Franzese A, Poggi V, Patrini C, Laforenza U, Tenore A. Lipophilic thiamine treatment in long-standing insulin-dependent diabetes mellitus. Acta
Diabetol. 1999 Jun;36(1-2):73-6. PubMed PMID: 10436256.


2: Heywood R, Wood JD, Majeed SK. Tumorigenic and toxic effect of O,S-dibenzoyl thiamine hydrochloride in prolonged dietary administration to rats. Toxicol Lett. 1985 Jul;26(1):53-8. PubMed PMID: 4024157.


3: TACHI I, NAGATA Y. Polarography of diacetylthiamine and dibenzoylthiamine. J Vitaminol (Kyoto). 1956 Mar;2(1):60-6. PubMed PMID: 13320616.