Basic information
- CAS
113-07-5- Standard SMILES
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl- InChIKey
MBGXILHMHYLZJT-UHFFFAOYSA-N- Molecular formula
- C24H31ClN2O2
- Average molar mass
- 415 g/mol
- Monoisotopic mass
- 414.2074059
Overview
See also: Doxapram Hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- Dopram
- IUPAC
- 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrochloride
- English name
- 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one monohydrochloride
- Molecular formula
- C24H31ClN2O2
- Molecular weight
- 414.96814
Names & synonyms
113-07-5Dopram1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one monohydrochlorideDoxapram hydrochloride anhydrousDoxapram (hydrochloride)FB8713U6DM1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-2-one hydrochloride1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrochlorideCAS-113-07-53,3-Diphenyl-1-ethyl-4-(2-morpholinoethyl)-2-pyrrolidinone hydrochloride1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone hydrochloride hydrate2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, monohydrochloride, monohydrate
Show more names
NSC 170958Doxapram-d5 HClDOXAPRAMHYDROCHLORIDE,ANHYDROUS1-ethyl-4-(2-morpholinoethyl)-3,3-diphenylpyrrolidin-1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidone hydrochloride1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one hydrochloride
NCGC00167459-01UNII-FB8713U6DMEINECS 204-022-31-ETHYL-4-(2-MORPHOLINOETHYL)-3,3-DIPHENYL-2-PYRROLIDINONE HYDROCHLORIDE2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, monohydrochlorideDOXAPRAMHYDROCHLORIDESCHEMBL40645MLS001424142
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C24H30N2O2.ClH/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,22H,2,13-19H2,1H3;1H
- InChIKey
- MBGXILHMHYLZJT-UHFFFAOYSA-N
- SMILES
- C1(C(=O)N(CC)CC1CCN1CCOCC1)(C1C=CC=CC=1)C1C=CC=CC=1.Cl
- FDA UNII
- 8713 U6DM · FB8713U6DM
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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 (96.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (96.4%)
Safety data
- ridadr
- 3249
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAnaesthetics
UsesDoxapram Hydrochloride is a respiratory stimulant that has an inhibitory effect on myocardial IK1 potassium channel.
Suppliers26 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
湖北扬信医药科技有限公司15347293736 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
LUYUNJIA CHEMISTRY XIAMEN LIMITED+86-592-5360779 +86-13055435203
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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