Basic information
- CAS
62-13-5- Standard SMILES
CNCC(=O)c1ccc(O)c(O)c1.Cl- InChIKey
CSRRBDMYOUQTCO-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO3
- Average molar mass
- 217.65 g/mol
- Monoisotopic mass
- 217.0505709
Names & identifiers
- Preferred name
- Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
- English name
- Adrenalone hydrochloride
- Molecular formula
- C9H12ClNO3
- Molecular weight
- 217.65
Names & synonyms
Adrenalone hydrochloride62-13-5Adrenone hydrochlorideStryphnonasal3',4'-Dihydroxy-2-(methylamino)acetophenone hydrochlorideNN82YWE2ICNSC-9407DTXSID30211026NSC9407Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)RefChem:394893DTXCID30133517
Show more names
Adrenone HClAdrenalone HCl HydrateSSXS-3Impurity EPR2TIMTEC-BB SBB003372adrenonehydrochloridekephrinehydrochloride
200-525-7ADRENALONE HCLKephrine hydrochloride1-(3,4-dihydroxyphenyl)-2-(methylamino)ethan-1-one hydrochlorideEpinephrine ketone hydrochlorideAdrenalone Hydrochloride HydrateEthanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochlorideMFCD00035075
Database identifiers
- CAS
62-13-5- PubChem CID
- 66136
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 244 · 244-249 °C (dec.)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White
- Water Solubility
- almost transparency
- Merck
- 14 · 14,171
- BRN
- 3916102 · 3916102
- InChI
- InChI=1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H
- InChIKey
- CSRRBDMYOUQTCO-UHFFFAOYSA-N
- SMILES
- C1(C(=O)CNC)=CC=C(O)C(O)=C1.Cl
- CAS DataBase Reference
- 62 · 62-13-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 82 YWE2IC · NN82YWE2IC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Safety data
- F
- 3-8-10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- AM8225000
- hs_code
- 29225090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure.
Drugs used to cause constriction of the blood vessels.
Applications
Usesadrenergic (opthalmic)
UsesAdrenalone displays antineoplastic activity and has been shown to inhibit growth of Ehrlich ascites tumors in mice.
Preparation methods
PreparationObtained by action of hydrochloric acid on 3,4-dihydroxy-a-methylaminoacetophenone (65%), in methanol.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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