N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide

Modify Date: 2025-08-27 23:33:13

N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide structure	Common Name	N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide
	CAS Number	102132-45-6	Molecular Weight	370.42200
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₄N₃O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide
Synonym	More Synonyms

Molecular Formula	C₂₀H₂₄N₃O₄
Molecular Weight	370.42200
Exact Mass	370.17700
PSA	99.40000
LogP	2.80200
InChIKey	OGQZRIJILZETIX-UHFFFAOYSA-N
SMILES	CC1(C)C=C(C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)[NH+]1[O-]

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9368700

CHEMICAL NAME :: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-phthalimidopropyl)-2,2,5,5-tetrameth yl-, 1-oxide

CAS REGISTRY NUMBER :: 102132-45-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H24-N3-O4

MOLECULAR WEIGHT :: 370.47

WISWESSER LINE NOTATION :: T56 BVNVJ C3MV CT5N CUTJ AO B1 B1 E1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 187 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,1138,1986

dibromo-fluoro-...

CAS#:93799-37-2

~63%

N-[3-(1,3-dioxo...

CAS#:102132-45-6

Literature: Hankovszky; Hideg; Bodi; Frank Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1138 - 1152

3,5-dibromo-2,2...

CAS#:19971-12-1

N-[3-(1,3-dioxo...

CAS#:102132-45-6

Literature: Hankovszky; Hideg; Bodi; Frank Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1138 - 1152

Phthalic anhydride

CAS#:85-44-9

N-[3-(1,3-dioxo...

CAS#:102132-45-6

Literature: Hankovszky; Hideg; Bodi; Frank Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1138 - 1152

phthalimide

CAS#:136918-14-4

N-[3-(1,3-dioxo...

CAS#:102132-45-6

Literature: Hankovszky; Hideg; Bodi; Frank Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1138 - 1152

Precursor 3
CAS#:93799-37-2 dibromo-fluoro-... CAS#:19971-12-1 3,5-dibromo-2,2... CAS#:85-44-9 Phthalic anhydride
DownStream 1
CAS#:93799-37-2 dibromo-fluoro-...

2,5-Dihydro-N-(3-phthalimidopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide 1-oxide

N-[(1-oxyl-2,2,5,5-tetramethyl-3-pyrroline-3-carboxamido)propyl]phthalimide

1H-Pyrrole-3-carboxamide,2,5-dihydro-N-(3-phthalimidopropyl)-2,2,5,5-tetramethyl-,1-oxide

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N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-carboxamide

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.