MedKoo Cat#: 126306 | Name: Desmethyl sertraline HCl
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Description:

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

Desmethyl sertraline, also named as (1S,4S)-N-desmethyl Sertraline, is a metabolite of the selective serotonin reuptake inhibitor (SSRI) sertraline

Chemical Structure

Desmethyl sertraline HCl
Desmethyl sertraline HCl
CAS#675126-10-0

Theoretical Analysis

MedKoo Cat#: 126306

Name: Desmethyl sertraline HCl

CAS#: 675126-10-0

Chemical Formula: C16H16Cl3N

Exact Mass: 327.0348

Molecular Weight: 328.66

Elemental Analysis: C, 58.47; H, 4.91; Cl, 32.36; N, 4.26

Price and Availability

Size Price Availability Quantity
1mg USD 550.00 2 Weeks
5mg USD 1,150.00 2 Weeks
10mg USD 1,650.00 2 Weeks
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Related CAS #
No Data
Synonym
cis(1S,4S)-Norsertraline; CP 62,508; (1S,4S)-Norsertraline; Desmethyl sertraline.HCl; (1S,4S)-N-Desmethyl Sertraline Hydrochloride; rac-cis-N-Desmethyl Sertraline Hydrochloride
IUPAC/Chemical Name
(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
InChi Key
YKXHIERZIRLOLD-RISSCEEYSA-N
InChi Code
InChI=1S/C16H15Cl2N.ClH/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13;/h1-5,7,9,11,16H,6,8,19H2;1H/t11-,16-;/m0./s1
SMILES Code
ClC(C=C1)=C(Cl)C=C1[C@H](CC[C@@H]2N)C3=C2C=CC=C3.Cl
Appearance
To be determined
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 328.66 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