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MedKoo Cat#: 526481 | Name: Trebenzomine

Description:

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

Trebenzomine is apsychotropic agent with potential as an antipsychotic and an antidepressant.

Chemical Structure

Trebenzomine
Trebenzomine
CAS#222400-20-6 (free base)

Theoretical Analysis

MedKoo Cat#: 526481

Name: Trebenzomine

CAS#: 222400-20-6 (free base)

Chemical Formula: C23H35N7O6S

Exact Mass: 537.2370

Molecular Weight: 537.64

Elemental Analysis: C, 51.38; H, 6.56; N, 18.24; O, 17.85; S, 5.96

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 #
222400-20-6 (free base) 23915-74-4 (HCl)
Synonym
Trebenzomine; CI-686; CI686; CI 686
IUPAC/Chemical Name
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((3S)-3-((((aminoiminomethyl)amino)acetyl)amino)-1-pyrrolidinyl)carbonyl)-1-methyl-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, (4R,5S,6S)-
InChi Key
KEDAXBWZURNCHS-GPODMPQUSA-N
InChi Code
InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
SMILES Code
O=C(C(N12)=C(S[C@@H]3CN(C)[C@H](C(N4C[C@@H](NC(CNC(N)=N)=O)CC4)=O)C3)[C@H](C)[C@]2([H])[C@@H]([C@H](O)C)C1=O)O
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
>2 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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 537.64 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: Menon MK, Haddox VG. Suitability of amfonelic acid-induced locomotor stimulation in mice as a model for the evaluation of classical and atypical antipsychotics. Neuropharmacology. 1984 May;23(5):555-61. PubMed PMID: 6146108. 2: Georgotas A, Gerbino L, Jordan B, McCarthy M, Gershon S, Kleinberg D, Lautin A, Stanley M, Rotrosen J. A double-blind comparison of trebenzomine and thioridazine in the treatment of schizophrenia. Psychopharmacology (Berl). 1981;73(3):292-4. PubMed PMID: 6113618. 3: Borgen LA. Trebenzomine: a new psychotropic agent with potential as an antipsychotic and an antidepressant [proceedings]. Psychopharmacol Bull. 1979 Apr;15(2):92-4. PubMed PMID: 34847. 4: Pena-Ramos A, Muniz C, Goodman LI, Borgen LA. Controlled comparison of trebenzomine with doxepin as an antidepressant-anxiolytic. J Clin Psychiatry. 1979 Feb;40(2):104-6. PubMed PMID: 368044. 5: Stanley M, Rotrosen J, Sculerati N, Gershon S, Kuhn C, Cohen BM. Atypical antidopaminergic properties of CI-686: a potential antipsychotic agent. Psychopharmacology (Berl). 1979;66(1):23-7. PubMed PMID: 44373.