Octotiamine HCl | CAS# 1181-74-4 (HCl) | vitamin B1 deficiency

MedKoo Cat#: 414350 | Name: Octotiamine HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Octotiamine HCl is an analogue of vitamin B1. As a component of vitamin complex used for the treatment of vitamin B1 deficiency; vitamin B1 supplement.

Chemical Structure

Octotiamine HCl

CAS#1181-74-4 (HCl)

Theoretical Analysis

MedKoo Cat#: 414350

Name: Octotiamine HCl

CAS#: 1181-74-4 (HCl)

Chemical Formula: C23H37ClN4O5S3

Exact Mass: 580.1615

Molecular Weight: 581.20

Elemental Analysis: C, 47.53; H, 6.42; Cl, 6.10; N, 9.64; O, 13.76; S, 16.55

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

1181-74-4 (HCl) 137-86-0 (free base)

Synonym

Octotiamine hydrochloride; Octotiamine HCl

IUPAC/Chemical Name

Octanoic acid, 6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-hydroxyethyl)-1-propen-1-yl)dithio)-, methyl ester, hydrochloride (1:1)

InChi Key

NXYSZSRWHYVNSH-JEBHESKQSA-N

InChi Code

InChI=1S/C23H36N4O5S3.ClH/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4;/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26);1H/b21-16+;

SMILES Code

O=C(OC)CCCCC(SC(C)=O)CCSS/C(CCO)=C(N(CC1=CN=C(C)N=C1N)C=O)\C.[H]Cl

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

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

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 581.20 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.

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

1: Tomozawa H, Momonaga M, Uemura T, Yazawa H. Influence of powder characteristics of bulk substance with pharmaceutical processing. Drug Dev Ind Pharm. 1998 Sep;24(9):857-61. doi: 10.3109/03639049809088531. PMID: 9876537.