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104874-50-2

104874-50-2 Structure

104874-50-2 Structure
IdentificationBack Directory
[Name]

(+/-)-11-NOR-9-CARBOXY-DELTA9-THC
[CAS]

104874-50-2
[Synonyms]

YOVRGSHRZRJTLZ-HOTGVXAUSA-N
DL-11-NOR-9-CARBOXY-DELTA 9
(-11-nor-9-carboxy-9-THC (CRM)
(+/-)-11-NOR-9-CARBOXY-DELTA9-THC
(±)-11-nor-9-carboxy-Δ9-THC (CRM)
(+/-)-11-NOR-9-CARBOXY-DELTA9-THC
(+/-)-11-Nor-9-Tetrahydrocannabinol
(+/-)-11-Nor-Δ9-Tetrahydrocannabinol
11-CARBOXY-DELTA(9)-TETRAHYDROCANNABINOL
11-nor-9-carboxy-delta9-tetrahydrocannabinol
11-NOR-DELTA(9)-TETRAHYDROCANNABINOL-9-CARBOXYLIC ACID
Methanol(test (±)-11-Nor-9-Carboxy-delta-9-THC,100ug/mL)
(±)-11-nor-9-Carboxy-δ9-THC (Racemic mixture - not to be used for immunoassay)
6H-Dibenzo[b,d]pyran-9-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6aR,10aR)-rel-
[EINECS(EC#)]

200-659-6
[Molecular Formula]

C21H28O4
[MDL Number]

MFCD00079485
[MOL File]

104874-50-2.mol
[Molecular Weight]

344.44
Chemical PropertiesBack Directory
[Melting point ]

174-176 °C
[Boiling point ]

466.9±45.0 °C(Predicted)
[density ]

1.140±0.06 g/cm3(Predicted)
[Fp ]

9℃
[storage temp. ]

−20°C
[form ]

vacuum-dried powder
[pka]

4.66±0.40(Predicted)
[color ]

Colorless to light yellow
[Major Application]

cannabis testing
forensics and toxicology
[InChI]

1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)
[InChIKey]

YOVRGSHRZRJTLZ-UHFFFAOYSA-N
[SMILES]

CCCCCc1cc(O)c2C3C=C(CCC3C(C)(C)Oc2c1)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

7-16-36/37-45
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
Hazard InformationBack Directory
[Description]

(±)-11-nor-9-carboxy-Δ9-THC (CRM) (Item No. 20754) is a certified reference material that is structurally categorized as a cannabinoid metabolite. 11-nor-9-carboxy-Δ9-THC is an abundant secondary metabolite of Δ9-THC (Item Nos. ISO60157 | 12068) and is produced by the oxidation of the primary metabolite 11-hydroxy-Δ9-THC. This product is intended for research and forensic applications.
[Definition]

ChEBI: 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol is a phytocannabinoid that is Delta(9)-tetrahydrocannabinol in which the C-11 methyl has been fully oxidised to a carboxy group. Further enzymatic oxidation product of 11-hydroxy-Delta(9)-tetrahydrocannabinol. It has a role as a human xenobiotic metabolite. It is functionally related to a Delta(9)-tetrahydrocannabinol.
[General Description]

A certified solution standard of (±)-11-nor-9-Carboxy-Δ9-THC at a higher concentration of 1.0 mg/mL. Also known as THC acid, 11-nor-9-Carboxy-Δ9-THC is the main secondary metabolite of THC found in urine or blood of Cannabis users. This reference solution is suitable for use as starting materials in the preparation of calibrators and controls for THC testing by GC/MS or LC/MS in forensic analysis, urine drug testing, or clinical toxicology.
[References]

[1] TINA M. BLAND . CYP2C-catalyzed delta(9)-tetrahydrocannabinol metabolism: Kinetics, pharmacogenetics and interaction with phenytoin[J]. Biochemical pharmacology, 2005, 70 7: Pages 1096-1103. DOI: 10.1016/j.bcp.2005.07.007
[2] REBECKA COLES. Simultaneous analysis of the Delta9-THC metabolites 11-nor-9-carboxy-Delta9-THC and 11-hydroxy-Delta9-THC in meconium by GC-MS.[J]. Journal of analytical toxicology, 2005, 29 6: 522-527. DOI: 10.1093/jat/29.6.522
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