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MedKoo Cat#: 414770 | Name: Paravallarinol HBr

Description:

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

Paravallarinol HBr is a biochemical with anti-inflammatory and gastric anti-ulcerous activities

Chemical Structure

Paravallarinol HBr
Paravallarinol HBr
CAS#29847-80-1 (HBr)

Theoretical Analysis

MedKoo Cat#: 414770

Name: Paravallarinol HBr

CAS#: 29847-80-1 (HBr)

Chemical Formula: C22H38BrNO2

Exact Mass: 427.2086

Molecular Weight: 428.46

Elemental Analysis: C, 61.67; H, 8.94; Br, 18.65; N, 3.27; O, 7.47

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.
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Related CAS #
17083-11-3 (free base); 29847-80-1 (HBr); 29847-81-2 (HCl)
Synonym
Paravallarinol hydrobromide; Paravallarinol HBr
IUPAC/Chemical Name
Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, hydrobromide
InChi Key
DMJSWWCAOUIXTN-RZKNDPLNSA-N
InChi Code
InChI=1S/C22H37NO2.BrH/c1-14(25)18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24;/h4,14,16-20,23-25H,5-13H2,1-3H3;1H/t14-,16-,17+,18+,19-,20-,21-,22-;/m0./s1
SMILES Code
C[C@H](O)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](NC)CC[C@]4(C)[C@@]3([H])CC[C@]12CO.[H]Br
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

Preparing Stock Solutions

The following data is based on the product molecular weight 428.46 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
1: Aurousseau M, Emmerich E. Etude des activités anti-inflammatoire et anti- ulcéreuse gastrique d'un alcaloïde stéroïdique dérivé de la paravallarine: le paravallarinol [Study of anti-inflammatory and gastric anti-ulcerous activities of a steroid alkaloid derived from paravallarine: paravallarinol]. Therapie. 1970 Jul-Aug;25(4):795-811. French. PMID: 5458923. 2: Emmerich E, Aurousseau M. Etude de la stimulation surrenalienne provoquee par un steroïde derive de la paravallarine: le paravallarinol [Study of adrenal gland stimulation due to a steroid derivative of paravallarine: paravallarinol]. Ann Pharm Fr. 1971 May-Jun;29(5):377-82. French. PMID: 5124769.