1-Propanol, 3,3'-(cyclohexylimino)di-, dimethanesulfonate (ester), hydrochloride

CAS 2990-21-8 MFCD02990218

化学结构图

2990-21-8
SMILES: CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1CCCCC1.Cl

化学属性

Mol. Weight408.02
Mol. FormulaC14H29NO6S2.ClH

别名和识别编码

Wiswesser Line NotationL6TJ AN3OSW1&3OSW1 &GH
Chemical Name1-Propanol, 3,3'-(cyclohexylimino)di-, dimethanesulfonate (ester), hydrochloride
Synonym 3,3'-(Cyclohexylimino)di-1-propanol dimethanesulfonate (ester)
CAS Number2990-21-8
InChIKeyDEOOPVUWEHJKFL-UHFFFAOYSA-N
PubChem Substance ID200965
InChIInChI=1S/C14H29NO6S2.ClH/c1-22(16,17)20-12-6-10-15(14-8-4-3-5-9-14)11-7-13-21-23(2,18)19;/h14H,3-13H2,1-2H3;1H
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安全信息

RTECSUA9812100 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 375 mg/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 13,1363,1965

系列性分类

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