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Substance Name: Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 3-nitrobenzenesulfonate (1:1)
RN: 124088-59-1
InChIKey: BOFBUPWQQRTHQX-UHFFFAOYSA-N
Classification Codes
- Skin / Eye Irritant
- TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
Molecular Formula
- C27-H50-N.C6-H4-N-O5-S
Molecular Weight
- 591.872
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Names and Synonyms
Synonyms
- Ammonium, benzyldimethyloctadecyl-, 3-nitrobenzenesulfonate
- Benzyldimethyloctadecyl ammonium 3-nitrobenzenesulfonate
- N,N-Dimethyl-N-octadecylbenzenemethanaminium salt with 3-nitrobenzenesulfonic acid (1:1)
Systematic Names
- Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 3-nitrobenzenesulfonate (1:1)
- Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, salt with 3-nitrobenzenesulfonic acid (1:1)
Registry Numbers
CAS Registry Number
- 124088-59-1
System Generated Number
- 0124088591
Molecular Formulas
Molecular Formula
- C27-H50-N.C6-H4-N-O5-S
Molecular Formula Fragments
- C27-H50-N
- C6-H4-N-O5-S
- COMPONENT
Structure Descriptors
InChI
1S/C27H50N.C6H5NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-4H,(H,10,11,12)/q+1;InChIKey
BOFBUPWQQRTHQX-UHFFFAOYSA-NSmiles
c1(ccccc1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 2679mg/kg (2679mg/kg) | GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION LIVER: CHANGES IN LIVER WEIGHT BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0570937, |
rat | LD50 | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0570937, |