CAS 1083-57-4 MFCD00021906-3-HYDROXY-P-BUTYROPHENETIDINE N-(4-乙氧基苯基)-3-羟基丁酰胺 TAO{mole}

3-HYDROXY-P-BUTYROPHENETIDINE N-(4-乙氧基苯基)-3-羟基丁酰胺

CAS 1083-57-4 MFCD00021906

化学结构图

SMILES: CCOc1ccc(NC(=O)CC(C)O)cc1

化学属性

Mol. Formula	C12H17NO3
Mol. Weight	223
Melting Point	158.0 to 161.0 deg-C

别名和识别编码

Chemical Name	3-HYDROXY-P-BUTYROPHENETIDINE
MDL Number	MFCD00021906
CAS Number	1083-57-4
Synonym	3-Hydroxy-p-butyrophenetidide 4'-Ethoxy-3-hydroxybutyranilide Betadid Bucetin Butanamide, N-(4-ethoxyphenyl)-3-hydroxy- N-(3-羟丁酰)-对氨基苯乙醚羟丁酰胺苯醚 N-(4-Ethoxyphenyl)-3-hydroxybutanamide N-(beta-hydroxybutyryl)-p-phenetidine NHB-PPT beta-Hydroxybutyric acid-p-phenetidide beta-Oxybuttersaeure-p-phenetidid beta-hydroxybutyric acid-p-phenetidide bucetin 布西丁
PubChem Substance ID	14130
EC Number	214-109-8
Reaxys-RN	2725755
Merck Number	1458
Chemical Name Translation	N-(4-乙氧基苯基)-3-羟基丁酰胺
Wiswesser Line Notation	Q3VMR DO2
Beilstein Registry Number	2725755
InChI	InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
LabNetwork Molecule ID	LN00241732

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安全信息

WGK Germany3

GHS Symbol

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P302+P352
P304+P312
P304+P340
P308+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H312 Harmful in contact with skin 皮肤接触有害
H332 Harmful if inhaled 吸入有害
H350 May cause cancer 可能致癌

RTECSEU0900000

Signal word Danger

Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S22 Do not breathe dust 不要吸入粉尘；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Hazard Codes T

Risk Statements

R46 May cause inheritable genetic damage 可能引起遗传基因损害
R45 May cause cancer 可能致癌
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 479 gm/kg/76W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 79,1151,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 958 gm/kg/76W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 79,1151,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 15,727,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 790 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   62,123,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   62,123,1966

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 umol/plate
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: 33,2877,1985