Basic information
- CAS
6429-04-5- Standard SMILES
COc1ccc(CC2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC.[Cl-]- InChIKey
VMPLLPIDRGXFTQ-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO4
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.155036
Overview
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Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
- English name
- Tetrahydropapaverine hydrochloride
- Molecular formula
- C20H25NO4.HCl
- Molecular weight
- 379.8814
Names & synonyms
1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chlorideEINECS 229-213-9NSC 1180721-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;chloridePapaverine, 1,2,3,4-tetrahydro-, hydrochlorideDTXSID4013505991,2,3,4-Tetrahydro-6,7-dimethoxy-1-veratryl-isoquinoline hydrochlorideISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-VERATRYL-, HYDROCHLORIDENS00082186tetrahydropapaverine crystalline hydrochloride1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-isoquinoline hydrochloride (1:1)TETRAHYDROPAPAVERINE HCL
Show more names
TETRAHYDROALKALI HYDROCHLORIDENorlaudanosine Hydrochloride1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideNsc118072Norlaudanosine HClNorlaudanosineHydrochloride>DL-NORLAUDANOSINE HYDROCHLORIDEAtracuriuM Besylate intermediaterac-Nor Laudanosine Hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 216 to · 216.0 to 220.0 °C
- storage temp.
- 2 · Sealed in dry,2-8°C
- Water Solubility
- Soluble in water
- solubility
- Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H
- InChIKey
- VMPLLPIDRGXFTQ-UHFFFAOYSA-N
- SMILES
- C12C=C(C(OC)=CC=1CCNC2CC1=CC=C(OC)C(OC)=C1)OC.Cl
- CAS DataBase Reference
- 6429 · 6429-04-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P301+P312
- Hazard Codes
- T,Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- NX5070700
- hs_code
- 29334900
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xn
- safety_code
- 36
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P261-P301+P312
Chemistry & industry
Applications
UsesTetrahydropapaverine hydrochloride is an organic amine compound that can be used as atracuramide intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京译源生物科技有限公司18915107665 18061915908 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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