Basic information
- CAS
54-06-8- Standard SMILES
CN1CC(O)C2=CC(=O)C(=O)C=C21- InChIKey
RPHLQSHHTJORHI-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Overview
Adrenochrome is a member of indoles.
Names & identifiers
- Preferred name
- Adrenochrome
- IUPAC
- 3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione
- English name
- ADRENOCHROME
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
Adrenochrome54-06-8Adraxone3-Hydroxy-1-methyl-5,6-indolinedione2,3-Dihydro-3-hydroxy-1-methyl-1H-indole-5,6-dione1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl-70G54NQL713-hydroxy-1-methyl-2,3,5,6-tetrahydro-1H-indole-5,6-dioneRefChem:388775200-192-8D,L-Adrenochrome1-Adrenochrome
Show more names
3-hydroxy-1-methyl-6-indolinedioneusafuctl-7Adrenochrome Impurityadrenochrome free baseAdrenochrome Impurity 28
3-Hydroxy-1-methylindoline-5,6-dione3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dioneNSC4078403-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dioneUSAF uctl-77506-92-5EINECS 200-192-8Adrenochrom
Database identifiers
- CAS
54-06-8、7506-92-5- PubChem CID
- 5898
- DTXSID
DTXSID00871530- ChEMBL
CHEMBL1314174
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 115 · 115-120°C
- Boiling point
- 311.69 °C · 311.69°C (rough estimate)
- Density
- 1.2822 · 1.2822 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly), Water
- pka
- 13.31 · 13.31±0.20(Predicted)
- form
- Solid
- color
- Red to Black
- Stability
- Air Sensitive, Light Sensitive
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3
- InChIKey
- RPHLQSHHTJORHI-UHFFFAOYSA-N
- SMILES
- N1(C)C2C(=CC(=O)C(=O)C=2)C(O)C1
- FDA UNII
- 70 G54NQL71 · 70G54NQL71
- UNSPSC Code
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- NM1925000
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesThe substance mainly responsible for the red colours produced during the mild oxidation of adrenaline
UsesAdrenochrome is a derivative of epinephrine. When complexed with a salicylate, its stability is increased (carbazochrome). It was claimed to reduce blood loss, but the evidence is sparse.
Suppliers87 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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