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About This Item

Empirical Formula (Hill Notation):
C21H28N2O5
CAS Number:
562-10-7
Molecular Weight:
388.46
EC Number:
200-659-6
MDL number:
MFCD00056168
UNSPSC Code:
41116107
NACRES:
NA.24
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grade

certified reference material

Quality Level

300

form

liquid

feature

Snap-N-Spike®/Snap-N-Shoot®

packaging

ampule of 1 mL

manufacturer/tradename

Cerilliant®

concentration

1.0 mg/mL in methanol (as free base)

technique(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

application(s)

pharmaceutical (small molecule)

format

single component solution

storage temp.

−20°C

SMILES string

OC(=O)CCC(O)=O.CN(C)CCOC(C)(c1ccccc1)c2ccccn2

InChI

1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)

InChI key

KBAUFVUYFNWQFM-UHFFFAOYSA-N

Gene Information

human ... HRH1(3269)

Related Categories

General description

Doxylamine is a member of the ethanolamine class of antihistamines and is the most effective over-the-counter (OTC) sedative in the US. This Snap-N-Spike® Reference Solution is applicable to use in LC/MS or GC/MS applications for clinical toxicology or forensic analysis.

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Target Organs

Eyes,Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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