Basic information
- CAS
1225-64-5- Standard SMILES
CNCCCN1c2ccccc2Sc2ccc(Cl)cc21- InChIKey
YHFXGBOUSIKGMZ-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2S
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0800974
Overview
3-(2-chloro-10-phenothiazinyl)-N-methyl-1-propanamine is a member of phenothiazines.
Names & identifiers
- Preferred name
- Desmethylchlorpromazine
- IUPAC
- 3-(2-chlorophenothiazin-10-yl)-N-methylpropan-1-amine
- English name
- norchlorpromazine
- Molecular formula
- C16H17ClN2S
- Molecular weight
- 304.84
Names & synonyms
Norchlorpromazine1225-64-5N-DesmethylchlorpromazineN-MonodesmethylchlorpromazineO1G7LW1I5H10H-Phenothiazine-10-propanamine, 2-chloro-N-methyl-DTXSID501536313-(2-chlorophenothiazin-10-yl)-N-methyl-propan-1-amineDesmethylchlorpromazineRefChem:919935DTXCID0076122Demethylchlorpromazine
Show more names
Chlorpromazine-004Nor-1-chlorpromazineDesmethylechlorpromazineChlorpromazine Impurity 5Chlorpromazine EP Impurity D HCIChlorpromazine impurity D (Y0000479)2-Chloro-10-[3-(methylamino)propyl]-10H-phenothiazineN-Methyl-2-chloro-10H-phenothiazine-10-(1-propanamine)
3-(2-chlorophenothiazin-10-yl)-N-methylpropan-1-amineDemonomethylchlorpromazineChlorpromazine EP Impurity D3-(2-Chloro-10H-phenothiazin-10-yl)-N-methylpropan-1-amine10H-Phenothiazine-10-propanamine,2-chloro-N-methyl-3953-65-9(HCl salt)UNII-O1G7LW1I5HChlorpromazine-M norl
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
Collision Cross Section
168.7 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
166.84 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C16H17ClN2S/c1-18-9-4-10-19-13-5-2-3-6-15(13)20-16-8-7-12(17)11-14(16)19/h2-3,5-8,11,18H,4,9-10H2,1H3
- InChIKey
- YHFXGBOUSIKGMZ-UHFFFAOYSA-N
- SMILES
- S1c2c(cc(cc2)Cl)N(c3c1cccc3)CCCNC
- FDA UNII
- 1 G7LW1I5H · O1G7LW1I5H
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Metabolism/MetabolitesChlorpromazine, N-desmethyl is a known human metabolite of chlorpromazine.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesChlorpromazine impurity D EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
sgtlifesciences pvt ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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