Basic information
- CAS
1176-08-5- Standard SMILES
C[NH+](C)CCOc1ccccc1Cc1ccccc1.O=C([O-])CC(O)(CC(=O)O)C(=O)O- InChIKey
ZZYHCCDMBJTROG-UHFFFAOYSA-N- Molecular formula
- C23H29NO8
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.18931688
Overview
See also: Phenyltoloxamine Citrate (preferred); Phenyltoloxamine (has active moiety); Acetaminophen; alcohol; phenyltoloxamine citrate (component of) ... View More ...
Names & identifiers
- Preferred name
- Ethanamine, N,N-dimethyl-2-(2-(phenylmethyl)phenoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- IUPAC
- 2-(2-benzylphenoxy)ethyl-dimethylazanium;3-carboxy-3,5-dihydroxy-5-oxopentanoate
- English name
- Phenyltoloxamine citrate
- Molecular formula
- C23H29NO8
- Molecular weight
- 447.48
Names & synonyms
MobigesicEthanamine, N,N-dimethyl-2-(2-(phenylmethyl)phenoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Ethanamine, N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)2-(2-benzylphenoxy)ethyl-dimethylazanium;3-carboxy-3,5-dihydroxy-5-oxopentanoateN,N-Dimethyl-2-(alpha-phenyl-o-tolyloxy)ethylamine, citrate (1:1) saltnih10121floxaminephenoxadrincitratephenoxadrine citratePHENYLTOLOXAMINE CITRATEANTIN DIHYDROGEN CITRATEPHENYLTOLOXAMINE CITRATE SALT
Show more names
Umeclidinium Bromide Impurity 22Phenyltoloxamine Citrate (100 mg)Phenyltoloxamine citrate USP/EP/BP
Database identifiers
- CAS
1176-08-5
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Melting point
- 255 °C · >255°C (dec.)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- InChI
- 1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- InChIKey
- ZZYHCCDMBJTROG-UHFFFAOYSA-N
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOc1ccccc1Cc2ccccc2
- FDA 21 CFR
- 310.545 · 310.545
- CAS DataBase Reference
- 1176 · 1176-08-5(CAS DataBase Reference)
- FDA UNII
- 8 UE48MJH8M · 8UE48MJH8M
- EPA Substance Registry System
- -2 · Ethanamine, N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (1176-08-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KR6650000
- hs_code
- 2922190900
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesPhenyltoloxamine Citrate Salt is a reagent in the enhancement of antitussive agents (antihistamines), in cold remedy formulations.
Suppliers24 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
广州致雅医药科技有限公司18122150900 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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