홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

에토헵타진

Ethoheptazine

HCID 6469
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
77-15-6
표준 SMILES
CCOC(=O)C1(c2ccccc2)CCCN(C)CC1
InChIKey
WGJHHMKQBWSQIY-UHFFFAOYSA-N
분자식
C16H23NO2
평균 분자량
261.36 g/mol
단동위원소 질량
261.17287898

개요

Ethoheptazine is a member of azepanes.

이름 및 식별자

우선 이름
Ethoheptazine
IUPAC
ethyl 1-methyl-4-phenylazepane-4-carboxylate
현지명
에토헵타진
영어명
ethoheptazine
분자식
C16H23NO2
분자량
261.363

이름 및 동의어

ETHOHEPTAZINE77-15-6ethyl 1-methyl-4-phenylazepane-4-carboxylateAethoheptazinEthyl heptazineZactaneEthoheptazinumEtoheptazinaWY 4014-Carbethoxy-1-methyl-4-phenylazacycloheptane1-Methyl-4-carbethoxy-4-phenylhexamethylenimine4-Carbethoxy-1-methyl-4-phenylhexamethylenimine
이름 더 보기
에토헵타진에토헵타진및그염류Wy-401WGJHHMKQBWSQIY-UHFFFAOYSA-N4-Ethoxycarbonyl-1-methyl-4-phenylhexahydro-1H-azepineHexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylic acid ethyl1H-Azepine-4-carboxylicacid, hexahydro-1-methyl-4-phenyl-, ethyl ester
1-Methyl-4-carbethoxy-4-phenylhexamethyleneimine3A4G3A848U1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl esterEthyl hexahydro-1-methyl-4-phenyl-azepine-4-carboxylateHexahydro-1-methyl-4-phenyl-4-azepinecarboxylic acid ethyl esterAzepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl esterDTXSID7023017RefChem:592707

데이터베이스 식별자

CAS
77-15-6
PubChem CID
6469
DTXSID
DTXSID7023017
ChEMBL
CHEMBL170797
ChEBI
CHEBI:135074
UNII
3A4G3A848U
EC Number
201-007-3
Nikkaji
J4.194G

물성

구조 계산 물성

XLogP
2.8
극성 표면적
29.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
19
형식 전하
0
복잡도
299

실험 및 물리화학적 성질

Density1.038 @ 26 °C/4 °C
Color/FormLIQUID
Human DrugsPharmaceuticals
Boiling Point127-129 °C/0.5 MM HG
Melting Point122-124
Refractive IndexINDEX OF REFRACTION: 1.5210 @ 26 °C/D; 1.5220 @ 28 °C/D
Other Experimental Properties · 3건

PH (1 IN 100 SOLN) BETWEEN 3.5 & 4.5; MELTS WITHIN A 3 DEG RANGE BETWEEN 135 DEG & 145 °C /CITRATE/

RECRYSTALLIZED FORM ETHYL ACETATE + ETHER; MP 151-153 °C /HCL/

CRYSTALS FROM ETHER /METHOBROMIDE/

물리화학적 성질

녹는점
25 °C · 25°C
끓는 점
1 · bp1 133-134°; bp0.5 127-129°; bp0.3 128-130°
밀도
426 · d426 1.038
굴절률
26 · nD26 1.5210; nD28 1.5220
산도 계수 (pKa)
8.45 · pKa 8.45 (Uncertain)

화학적 성질

Liquid.

안전 및 규제

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

독성 정보

Human Toxicity Excerpts · 5건

NAUSEA, VOMITING, EPIGASTRIC DISTRESS, DIZZINESS, & PRURITUS HAVE BEEN OBSERVED.

...EFFECTS THAT MAY OCCUR AFTER THERAPEUTIC DOSES...INCL DIZZINESS, SWEATING, EUPHORIA, DRY MOUTH, NAUSEA, VOMITING, WEAKNESS, VISUAL DISTURBANCES, PALPITATION, DYSPHORIA, SYNCOPE & SEDATION. INCIDENCE & SEVERITY OF THESE RESPONSES ARE GREATER IN AMBULATORY PT THAN.../BED PT/. /MEPERIDINE/

OVERALL INCIDENCE OF INDIVIDUAL SIDE EFFECTS IS QUITE SIMILAR TO THAT OBSERVED AFTER EQUIANALGESIC DOSES OF MORPHINE, EXCEPT THAT CONSTIPATION & URINARY RETENTION DO NOT OCCUR AS FREQUENTLY AFTER MEPERIDINE. /MEPERIDINE/

IN ADDICTS TOLERANT TO DEPRESSANT EFFECTS OF MEPERIDINE, LARGE DOSES REPEATED @ SHORT INTERVALS PRODUCE TREMORS, MUSCLE TWITCHES, DILATED PUPILS, HYPERACTIVE REFLEXES, & CONVULSIONS. /MEPERIDINE/

For more Human Toxicity Excerpts (Complete) data for ETHOHEPTAZINE (7 total), please visit the HSDB record page.

안전 데이터

유해 물질 데이터
77-15-6(Hazardous Substances Data)

화학 및 산업

용도 및 제조

UsesMEDICATION
Methods of Manufacturing · 1건

PREPD IN SEVERAL STEPS FROM 2-PHENYL-4-DIMETHYLAMINOBUTYRONITRILE AS A STARTING MATERIAL, THE FINAL STEP BEING THE HYDROLYSIS & ESTERIFICATION OF 1-METHYL-4-PHENYL-4-CYANOAZACYCLOHEPTANE: DIAMOND ET AL, J ORG CHEM 22, 399 (1957); DIAMOND, BRUCE, US PATENT 2,666,050 (1954 TO AM HOME PROD).

Formulations/Preparations · 1건

AVAILABLE AS ETHOHEPTAZINE CITRATE IN 75 MG TABLETS. ALSO GENERALLY AVAILABLE IN MULTIPLE LAYERED TABLETS AS ZACTIRIN (CONTAINING 75 MG ETHOHEPTAZINE & 325 MG ASPIRIN), & ZACTIRIN COMPD-100 (CONTAINING 100 MG ETHOHEPTAZINE, 227 MG ASPIRIN, 162 MG PHENACETIN, & 32.4 MG CAFFEINE).

Use ClassificationPharmaceuticals

응용 분야

용도Medicine (analgesic).

상·하류 제품 정보

상류 원료

황산나트륨아미드페닐아세토나이트릴1,3-디브로모프로판2-Chloroethyldimethylamine에틸알코올

공급사3 곳

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트