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Benzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N-(4-ethoxyphenyl)acetamide

HCID 24666
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
8003-03-0
표준 SMILES
CC(=O)Oc1ccccc1C(=O)O.CCOc1ccc(NC(C)=O)cc1.Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIKey
PITMOJXAHYPVLG-UHFFFAOYSA-N
분자식
C10H13NO2.C9H8O4.C8H10N4O2
평균 분자량
553.6 g/mol
단동위원소 질량
553.21726296

개요

A mixture of aspirin (A), phenactin (P) and caffeine (C). Used an an analgesic. White powder. (NTP, 1992)

이름 및 식별자

우선 이름
Benzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N-(4-ethoxyphenyl)acetamide
IUPAC
2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione
영어명
APC.
분자식
C27H31N5O8
분자량
553.57

이름 및 동의어

Benzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N-(4-ethoxyphenyl)acetamideRefChem:565438Thomapyrin8003-03-0Aspirin mixt. with phenacetin and caffeineBex powderAscophenAskophenCitramonOscophenAPC (pharmaceutical)CCRIS 50
이름 더 보기
MIXTUREOFASPIRIN,PHENACETINANDCAFFEINE
A.P.CAspirin, phenacetin and caffeineAspirin, phenacetin, and caffeineNCI-C02697aspirin - caffeine - phenacetinSCHEMBL293832512-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione

데이터베이스 식별자

CAS
8003-03-0
PubChem CID
24666

물성

구조 계산 물성

극성 표면적
160 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
40
형식 전하
0
복잡도
667

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Physical DescriptionA mixture of aspirin (A), phenactin (P) and caffeine (C). Used an an analgesic. White powder. (NTP, 1992)

물리화학적 성질

안정성
안정적인. 강한 산화제와 호환되지 않습니다.
EPA
Aspirin mixt. with phenacetin and caffeine (8003-03-0)

화학적 성질

white powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1건

APC is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.

안전 및 보호

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

화학 및 산업

응용 분야

일반 설명A mixture of aspirin (A), phenactin (P) and caffeine (C). Used an an analgesic. White powder.

공급사1 곳

HONEST JOY HOLDINGS LIMITED[email protected]

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불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

독성 정보

Carcinogen Classification · 6건

Aspirin,Phenacetin,and Caffeine

TR-067: Bioassay of a Mixture of Aspirin, Phenacetin, and Caffeine for Possible Carcinogenicity (CASRN 8003-03-0) (1978 )

03/07/78

No Evidence

Equivocal Evidence

No Evidence

안전 데이터

독성
LD50 orl-rat: 1420 mg/kg NCIMR* NIH-71-E-2144