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MedKoo Cat#: 413525 | Name: Demoxepam
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Description:

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

Demoxepam is a minor tranquilizer

Chemical Structure

Demoxepam
Demoxepam
CAS#963-39-3

Theoretical Analysis

MedKoo Cat#: 413525

Name: Demoxepam

CAS#: 963-39-3

Chemical Formula: C15H11ClN2O2

Exact Mass: 286.0509

Molecular Weight: 286.72

Elemental Analysis: C, 62.84; H, 3.87; Cl, 12.36; N, 9.77; O, 11.16

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 650.00 2 Weeks
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Related CAS #
No Data
Synonym
Demoxepam; Chlordiazepoxide Lactam; Ro 5-2092; Ro5-2092; Ro-5-2092; Ro52092; Ro 52092; Ro-52092; NSC 169898; NSC169898; NSC-169898; NSC46007; NSC 46007; NSC 46007; NSC 46077; NSC46077;NSC-46077
IUPAC/Chemical Name
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide
InChi Key
GGRWZBVSUZZMKS-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)
SMILES Code
O=C1NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=[N+]([O-])C1
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
Solvent mg/mL mM
Solubility
To be determined 0.0 0.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 286.72 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: Sarris GG, Limoges JF. Demoxepam Derivatization and GC-MS Analysis Produces Erroneous Nordiazepam and Oxazepam Results. J Anal Toxicol. 2019 Jun 1;43(5):406-410. doi: 10.1093/jat/bkz006. PMID: 30796822. 2: Davidson AG. Assay of chlordiazepoxide and demoxepam in chlordiazepoxide formulations by difference spectrophotometry. J Pharm Sci. 1984 Jan;73(1):55-8. doi: 10.1002/jps.2600730114. PMID: 6694083. 3: Han WW, Yakatan GJ, Maness DD. Kinetics and mechanisms of hydrolysis of 1,4-benzodiazepines I: chlordiazepoxide and demoxepam. J Pharm Sci. 1976 Aug;65(8):1198-204. doi: 10.1002/jps.2600650817. PMID: 10416. 4: Ouédraogo M, De Maesschalck E, Soentjens-Werts V, Dubois J. In vitro cytotoxicity study of oxaziridines generated after chlordiazepoxide, demoxepam, and desmethylchlordiazepoxide UV irradiation. Drug Chem Toxicol. 2009;32(4):417-23. doi: 10.1080/01480540903130666. PMID: 19793035. 5: Vinkers CH, Korte-Bouws GA, Toraño JS, Mirza NR, Nielsen EØ, Ahring PK, de Jong GJ, Olivier B. The rapid hydrolysis of chlordiazepoxide to demoxepam may affect the outcome of chronic osmotic minipump studies. Psychopharmacology (Berl). 2010 Mar;208(4):555-62. doi: 10.1007/s00213-009-1752-8. PMID: 20066402; PMCID: PMC2813522. 6: Schwartz MA, Postma E. Metabolites of demoxepam, a chlordiazepoxide metabolite, in man. J Pharm Sci. 1972 Jan;61(1):123-5. doi: 10.1002/jps.2600610128. PMID: 5058629. 7: Essien H, Lai SJ, Binder SR, King DL. Use of direct-probe mass spectrometry as a toxicology confirmation method for demoxepam in urine following high- performance liquid chromatography. J Chromatogr B Biomed Appl. 1996 Aug 30;683(2):199-208. doi: 10.1016/0378-4347(96)00119-3. PMID: 8891916. 8: Schwartz MA, Postma E, Gaut Z. Biological half-life of chlordiazepoxide and its metabolite, demoxepam, in man. J Pharm Sci. 1971 Oct;60(10):1500-3. doi: 10.1002/jps.2600601012. PMID: 5129365. 9: Schwartz MA, Postma E, Kolis SJ. Metabolism of demoxepam, a chlordiazepoxide metabolite, in the dog. J Pharm Sci. 1971 Mar;60(3):438-44. doi: 10.1002/jps.2600600320. PMID: 5572124. 10: Brinkman UA, Welling PL, de Vries G, Scholten AH, Frei RW. Liquid chromatography of demoxepam and phenothiazines using a post-column photochemical reactor and fluorescence detection. J Chromatogr. 1981 Nov 6;217:463-71. doi: 10.1016/s0021-9673(00)88098-x. PMID: 7320117. 11: Foreman JM, Griffiths WC, Dextraze PG, Diamond I. Simultaneous assay of diazepam, chlordiazepoxide, N-desmethyldiazepam, N-desmethylchloridazepoxide, and demoxepam in serum by high performance, liquid chromatography. Clin Biochem. 1980 Jun;13(3):122-5. doi: 10.1016/s0009-9120(80)90783-3. PMID: 6774834. 12: Greenblatt DJ, Shader RI, MacLeod SM, Sellers EM. Clinical pharmacokinetics of chlordiazepoxide. Clin Pharmacokinet. 1978 Sep-Oct;3(5):381-94. doi: 10.2165/00003088-197803050-00004. PMID: 359214. 13: Sidransky H, Verney E, Cosgrove JW, Schwartz AM. Inhibitory effect of demoxepam on tryptophan binding to rat hepatic nuclei. Biochem Med Metab Biol. 1992 Jun;47(3):270-3. doi: 10.1016/0885-4505(92)90036-x. PMID: 1627359. 14: Garcia EE, Benjamin LE, Fryer RI, Sternbach LH. Quinazolines and 1,4-benzodiazepines. 55. Synthesis of two metabolites of demoxepam isolated from the dog. J Med Chem. 1972 Sep;15(9):986-7. doi: 10.1021/jm00279a027. PMID: 5051018. 15: Garretty DJ, Wolff K, Hay AW. Micro-extraction of chlordiazepoxide and its primary metabolites, desmethylchlordiazepoxide and demoxepam, from plasma and their measurement by liquid chromatography. Ann Clin Biochem. 1998 Jul;35 ( Pt 4):528-33. doi: 10.1177/000456329803500407. PMID: 9681055. 16: Cornelissen PJ, Beijersbergen van Henegouwen GM, Mohn GR. Structure and photobiological activity of 7-chloro-1,4-benzodiazepines. Studies on the phototoxic effects of chlordiazepoxide, desmethylchlordiazepoxide and demoxepam using a bacterial indicator system. Photochem Photobiol. 1980 Nov;32(5):653-9. doi: 10.1111/j.1751-1097.1980.tb04035.x. PMID: 7220614. 17: Joyce JR, Bal TS, Ardrey RE, Stevens HM, Moffat AC. The decomposition of benzodiazepines during analysis by capillary gas chromatography/mass spectrometry. Biomed Mass Spectrom. 1984 Jun;11(6):284-9. doi: 10.1002/bms.1200110607. PMID: 6743768. 18: Stronjny N, Bratin K, Brooks MA, de Silva JA. Determination of chlordiazepoxide, diazepam, and their major metabolites in blood or plasma by spectrophotodensitometry. J Chromatogr. 1977 Jul 1;143(4):363-74. doi: 10.1016/s0378-4347(00)80982-2. PMID: 885976. 19: Barton K, Auld PW, Scott MG, Nicholls DP. Chlordiazepoxide metabolite accumulation in liver disease. Med Toxicol Adverse Drug Exp. 1989 Jan- Feb;4(1):73-6. doi: 10.1007/BF03259904. PMID: 2710011. 20: Mata DC. Stability of 26 Sedative Hypnotics in Six Toxicological Matrices at Different Storage Conditions. J Anal Toxicol. 2016 Oct;40(8):663-668. doi: 10.1093/jat/bkw084. Epub 2016 Aug 22. PMID: 27550995.