YS-49
Basic information
- CAS
132836-11-4- Standard SMILES
Br.Oc1cc2c(cc1O)C(Cc1cccc3ccccc13)NCC2- InChIKey
QHCUNMLYODPTIU-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO2
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.06774
Overview
structure given in first source
Names & identifiers
- Preferred name
- YS-49
- IUPAC
- 1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
- English name
- YS 49
- Molecular formula
- C20H20BrNO2
- Molecular weight
- 386.2823
Names & synonyms
YS-49YS 49DTXSID50437347132836-11-4YS49 compoundRefChem:388482DTXCID80388171683-585-0132836-42-11-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrobromide1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromideMFCD20926418
Show more names
CS-884YS49YS-49, 10 mM in DMSO1,2,3,4-Tetrahydro-1-(1-naphthalenylmethyl)-6,7-isoquinolinediol hydrobromide1,2,3,4-Tetrahydro-1-(1-naphthalenylmethyl)-6,7-Isoquinolinediol hydrobromide monohydrateinhibit,YS-49,PI3K,Adrenergic Receptor,Phosphoinositide 3-kinase,PKB,Beta Receptor,YS 49,Akt,Protein kinase B,Inhibitor,YS49,Angiotensin Receptor
YS-49 Hydrobromide1-(Naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide monohydrateorb1308928CHEMBL5483016SCHEMBL26186975Ys-49?DTXSID401365483GLXC-04856
Database identifiers
- CAS
132836-11-4、132836-42-1- PubChem CID
- 10249534
- DTXSID
DTXSID401365483- ChEMBL
CHEMBL5483016- EC Number
- 683-585-0
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: >10mg/mL
- form
- solid
- color
- White to off-white
- Water Solubility
- 2 O: · H2O: >10mg/mL
- InChI
- 1S/C20H19NO2.BrH.H2O/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14;;/h1-7,11-12,18,21-23H,8-10H2;1H;1H2
- InChIKey
- QHCUNMLYODPTIU-UHFFFAOYSA-N
- SMILES
- O.Br.Oc1cc2CCNC(Cc3cccc4ccccc34)c2cc1O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · UN 3077 9 / PGIII
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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