Pharmaceutical Categories & Chemistries Amenable to LC-MS-MS, LC-IT-MS & LC-UV/FLD Analysis

Use

Chemistry / Category

Antibiotics

Amphenicols, Beta-Lactams, Flunixins, Fluorquinolones, Macrolides, Sufonamides, Tetracyclines

Anticonvulsants

Benzodiazepines, Carboxamides, Hydantoins

Antidepressants

TCAs, Aryl / Aryloxyalkylamine, Benzodiazpine

Antiparasiticals - Anthelmintics, Antiprotozoals, Antifungals

Azole Imidazoles, 4-Aminoquinolines, Diamidines, Polyenes,Tiazoles

Antipsychotics - Anxiolytics (Antianxiety), Hypnotics

Benzodiazepines, Phenothiazines, Thioxanthenes, Alkaloids

Antiseptics, Disinfectants & Preservatives

Alkyl Parabens, Phenols, Organo-Hg salts, Triphenylmethane Dyes, Quaternary Amines

Antivirals

Acycloguanosines, Adamantane Derivatives

Cosmetics

Alkyl Parabens, Chlorophenolic Ethers, Organic Acids

Drugs of Abuse

Canabinoids, Methamphetamines, Opiates

Dyes & Pigments

Hair Dyes – Diaminobenzene & Diaminotoluene couplers, Azo-blue

Neuromuscular Drugs: Anti-parkinsons & Anti-spastics

Substituted Alakane Diols & derivatives, Glycerol Monoethers & derivatives, Belladonna alkaloids

Pain Management Drugs – Non-Prescription

Analgesics, Anti-arthritic,  Nonsteroid anti-inflamatory drug (NSAIDs),

Pain Management Drugs – Prescription

Analgesics, Anesthetics, Antipyretics, Opiates,

Sedatives & Hypnotics

Monoamines \ Catecholamines \ Tryptamines \ Thyronamines, Barbituates, Piperidineones

Steroids, Hormones & Performance Enhancing Drugs

Diols, Sterones

Stimulants – Analeptics, Anoretics, Noortropics

Xanthine Alkaloid (Caffine), Phenethylamine derivative, Tetrazoles, Pyridine Alkaloid (Nicotine)

Theraputics

Cholesterol inhibitors, Decongestants, Diuretics, Contrast Agnets

Vitamins, Supplements & Herbal Extracts

Vitamins, DHEA, Pergnenolone, Melatonin, Cucurmin, Aloe

 

4.1      Category – Compound Examples

 

1.      ANTIBIOTICS

 

Compound

CAS #

Chemical / Use Class

Amoxicillin

26787-78-0

B-Lactame Pencillin

Ciprofloxacin

85721-33-1

Quinolones & Fluoroquinolones

Chlorotetracycline

57-62-5

Tetracycline

Enrofloxacin

93106-60-6

Fluroquinolones

Erythromycin

114-07-8

Macrolides

Flunixin

38677-85-9

Flunixin

Streptomycin (STM)

57-92-1

Aminoglycosides

Sulfamerazine

127-79-7

Sulfonamide

Thiamphenicol (TAP)

15318-45-3

Amphenicol

 

2.      ANTI-CONVULSANTS

 

Compound

CAS #

Chemical / Use Class

Carbamazepine (Tegretol)

298-46-4

Carboxamides

Diazepam

439-14-5

Benzodiazepines

Divalproex sodium (Valproic acid salt)

99-66-1

Organic Acid

 

3.      ANTI-DEPRESSANTS

Compound

CAS #

Chemical / Use Class

Alprazolam

28981-97-7

Benzodiazpine

Bupropion (Wellbutrin)

34841-39-9

NDRI - Aryl / Aryloxyalkylamine

Desipramine (Norpramin)

50-47-5

TCAs

Mirtazapine (Remeron)

61337-67-5

NaSSA

Sertraline (Zoloft)

79617-96-2

SSRI

 

 

 

4.      ANTI-PARASITICALS – ANTHELMINTICS, ANTIPROTOZOALS, ANTIFUNGALS

Compound

CAS #

Chemical / Use Class

Amodiaquine

86-42-0

4-Aminoquinoline

Clotrimazole

23593-75-1

Azole imidazole, Anti-fungal

Fluconazole

86386-73-4

Tiazoles, Anti-fungal

Furazolidone

67-45-8

Antiprotozoals

Griseofulvin (Fulvicin, Grifulvin, Grisactin)

126-07-8

Benzofuran, Anti-fungal

Mefloquine

53230-10-7

4-Amino quinoline, Antio-malarial

Miconazole (Micatin)

22916-47-8

Azole Imidazole

Nystatin

1400-61-9

Polyenes

Pentamidine

100-33-4

Diamidines

Permethrin (Acticin, Elimite)

52645-53-1

Scabicide

Thiabendazole (Foldan, Mintezol, Minzolum, Triasox)

148-79-8

Anti-helmintic

Tioconazole (Vagistat-1)

65899-73-2

Azole Imidazole, Anti-fungal

Tolnaftate ( Tinactin, Aftate )

2398-96-1

Thiocarbamate, Anti-fungal

 

5.      ANTI-PSYCHOTICS – ANXIOLYTICS (ANXIETY), HYPNOTICS

Compound

CAS #

Chemical / Use Class

Alprazolam (Xanax)

28981-97-7

Benzodiazepines

Aripiprazole (Abilify, Aripiprex)

129722-12-9

Atypical Antipsychotic

Chlorpromazine (Thorazine)

50-53-3

Phenothiazines

Clopenthixol

982-24-1

Thioxanthenes

Deserpine

439-14-5

Alkaloids

Diazepam (Valium)

439-14-5

Benzodiazepines

Flurazepam

25967-29-7

Benzodiazepines

Haloperidol (Haldol)

52-86-8

Butyrophenone

Quetiapine (Seroquel)

111974-69-7

Atypical Antipsychotic

Risperidone (Risperdal)

106266-06-2

Atypical Antipsychotic

 

6.      ANTISEPTICS, DISINFECTANTS & PRESERVATIVES

Compound

CAS #

Chemical / Use Class

Alkyl Parabens

99-76-3 (methyl-), 120-47-8 (ethyl-), 94-13-3 (propyl-), 94-26-8 (butyl-)

Alkyl-p-hydroxybenzoates(methyl-, ethyl-, propyl-, butyl-)

Benzalkonium chloride

8001-54-5

Quarternary Amine / burn medication, lens cleaner

Benzyl Alcohol

100-51-6

Alcohol

Cetylpyridinium Chloride

123-03-5

Quaternary Amine analog / Mouthwash & Lozenge

Fuchsine

632-99-5

Triphenylmethane Dye

Hexachlorophene (pHisohex)

70-30-4

Chlorinated bi-phenol

Hexylresorcinol (Sucrets)

136-77-6

Resorcinols (Hydroxyphenol)

Phenol (Cloraseptic)

108-95-2

Phenols, Mouthwash

Thimerosal

54-64-8

Organo-Hg salt / vaccines, contact lenses

Triclosan

3380-34-5

Chlorophenolic Ethers

 

7.      ANTIVIRALS

 

Compound

CAS #

Chemical / Use Class

Acyclovir (Zovirax)

59277-89-3

Reverse transcriptase inhibitor

Ganciclovir

611-53-05

5-iodo-2deoxycytidine

Oseltamivir (Tamiflu)

196618-13-0

Release Inhibitor

Zidovudine (AZT, Azidothyimdine, Retrovir)

30516-87-1

Reverse transcriptase inhibitor

 

8.      COSMETICS

 

Compound

CAS #

Chemical / Use Class

Alkyl Parabens

99-76-3 (methyl-), 120-47-8 (ethyl-), 94-13-3 (propyl-), 94-26-8 (butyl-)

Alkyl-p-hydroxybenzoates(methyl-, ethyl-, propyl-, butyl-)

Benzoic Acid

65-85-0

Organic Acid

Benzyl Alcohol

100-51-6

Alcohol

Salicylic Acid

69-72-7

Monohydroxybenzoic acid

Triclosan

3380-34-5

Chlorophenolic Ethers

 

9.      DRUGS OF ABUSE

 

Compound

CAS #

Chemical / Use Class

Codeine

76-57-3

Opioids

Ethanol

64-17-5

Alchohol

Heroin

561-27-3

Opioids

Methamphetamine

537-46-2

Stmulant

Morphine

57-27-2

Opioids

Oxycodone

76-42-6

Opioids

 

10.  DYES & PIGMENTS

 

Compound

CAS #

C.I. # / Chemistry

Aminohydroxybenzenes

 

 

4-Amino-2-hydroxytoluene

2835-95-2

 

Azo-Blue

6059-34-3

23685

Diaminobenzenes, ortho or para,

106-50-3

 

Resorcinol (1,3-Dihydroxybenzene)

108-46-3

Resorcinol & Derivatives

Sudan III

85-86-9

26100

Sudan Black B

4197-25-5

26150

Sudan Red B

6368-72-5

26100

 

11.  NEUROMUSCULAR DRUGS: ANTI-PARKINSONS & ANTI-SPASTICS

 

Compound

CAS #

Chemical / Use Class

Atropine (D/L-hyoscyamine)

51-55-8

Belladonna alkaloid

Carisoprodol

78-44-4

Substituted Alakane Diols & derivatives

Mephenesin

59-47-2

Glycerol Monoethers & derivatives

Meprobamate (Equanil, Miltown)

57-53-4

Substituted Alakane Diols & derivatives

 

12.  PAIN MANAGEMENT DRUGS –NONPRESCRIPTION

 

Compound

CAS #

Comments

Aspirin (Acetylsalicylic acid)

50-78-2

Carboxylic Acid, NASAID

Ibuprofen (Iso-butyl-propanoic-phenolic acid)

15687-27-1

Carboxylic Acid, NASAID

Naproxen (Aleve)

22204-53-1

Carboxylic Acid, NASAID

Tylenol / Acetaminophen

8055-08-1

Paracetamol

 

13.  PAIN MANAGEMENT DRUGS – PRESCRIPTION

 

Compound

CAS #

Comments

Codeine

15687-27-1

Opium alkaloids

Flurbiprofen

5104-49-4

Phenylalkanoic acid derivative, NASAID

Levorphanol (Levo-dromoran)

77-07-6

Morphinan derivative

Oxymorphone (Numorphan)

76-41-5

Morphine derivative

 

14.  SEDATIVES & HYPNOTICS

 

Compound

CAS #

Chemical / Use Class

Acetylcholine

51-84-3

Monoamines

Butabarbital (Butisol)

125-0-6

Barbituates

Dopamine

51-61-6

Monoamines \ Catecholamines

Epinephrine (Adrenaline)

51-43-4

Monoamines \ Catecholamines

Melatonin

73-31-4

Monoamines \ Tryptamines

Thyronamine

500-78-7

Monoamines \ Thyronamines

 

15.  STEROIDS, HORMONES & PERFORMANCE ENHANCING DRUGS

 

Compound

CAS #

Chemical / Use Class

Adrenosterone

382-45-6

Androgens

Cholesterol

57-88-5

Plant/ Animal Steroid

Cortisone

53-06-5

Corticosteroids

Estradiol

481-30-1

Estrogens

Estrone

53-16-7

Estrogens

Norethisterone

68-22-4

Estrogens

Pregnenolon

145-13-1

Progestines

Progesterone

57-83-0

Progestines

 

16.  STIMULANTS – ANALEPTICS, ANORETICS, NOORTROPICS

 

Compound

CAS #

Chemical / Use Class

Amphetamine (Adderall)

300-62-9

Anorectic (Appetite Supressant), Analeptic, ADHD

Caffeine

58-08-0

Xanthine Alkaloid

Fluoxetine (Prozac)

57910-89-3

SSRIs

Methamphetamine (Desoxyn)

537-46-2

ADHD

Methylphenidate (Ritalin)

113-45-1

ADHD

Nicotine

54-11-5

Alkaloids

Pentylenetetrazole

54-95-5

Tetrazole

Theobromine

83-67-0

Alkaloids

 

17.  THERAPUTICS

 

Compound

CAS #

Chemical / Use Class

Benzothiadiazine

58-94-6

Thiazide / Diuretic

Diatrizoate

737-31-5

Radiocontrasting

Ezetimibe

163222-33-1

Cholesterol inhibitors

Iopromide

73334-07-3

X-ray contrast agent

Oxybenzone

131-57-7

Sunscreen

Oxymetazoline

1491-59-4

Decongestants (Nasal spray & Eye drop)

Pentoxifylline

6493-05-6

Controls Blood viscosity

Pseudoephedrine (Sudafed, Silfedrine, Dimetapp, Contac, Chlormeton, Afrinol)

90-82-4

Decongestant

Vardenafil

224785-90-4

Virility

Warfarin

81-81-2

Anti-coagulant

 

18.  VITAMINS, SUPPLEMENTS & HERBAL EXTRACTS

Generic

CAS #

Chemical / Use Class

Cucurmin

458-37-7

Herbal Extract

Fenfluramine (Pondimin, Ponderax, Adifax)

458-24-2

Weight Loss medicines, half of Fen-Phen

Phenylpropanolamine (Proin, Propalin)

14838-15-4

Weight Loss medicines

Vitamin A1

68-26-8

Generally supplied as Retinol Palmitate or acetate, Fat Soluble

Vitamin B7

58-85-5

Biotin, Water soluble

Vitamin C

50-81-7

Ascorbic Acid, Water soluble