MetoclopraMide불순물F

o-Desmethyl metoclopramide

HCID 9817332CAS 38339-95-6

기본 정보

표준 SMILES
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O
InChIKey
HPSMMIJTHMWCGC-UHFFFAOYSA-N
분자식
C13H20ClN3O2
평균 분자량
285.77 g/mol
단동위원소 질량
285.12440456

이름 및 식별자

우선 이름
o-Desmethyl metoclopramide
IUPAC
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
현지명
MetoclopraMide불순물F
영어명
MetoclopraMide IMpurity F
분자식
C13H20ClN3O2
분자량
285.77

이름 및 동의어

38339-95-6o-Desmethyl metoclopramide4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-hydroxybenzamideUNII-P5DX3Q3OG4P5DX3Q3OG42-Hydroxy-4-amino-5-chloro-N,N-diethylaminoethylbenzamideMetoclopramide specified impurity F [EP]Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-hydroxy-DTXSID40191704Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxy-METOCLOPRAMIDE IMPURITY F [EP IMPURITY]
이름 더 보기
MetoclopraMide불순물FMetocloprFmide EP Impurity F4-Amino-5-chloro-N-[2-(diethylaminoMetoclopramide Hydrochloride Monohydrate Impurity FMetoclopramide Hydrochloride Monohydrate EP Impurity FMetoclopramide Impurity 6(Metoclopramide EP Impurity F)
METOCLOPRAMIDE IMPURITY F (EP IMPURITY)RefChem:167183DTXCID40114195Metoclopramide specified impurity FMetoclopramide EP Impurity FCHEMBL43695Metoclopramide Impurity F4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide; Metoclopramide Imp. F (EP); Metoclopramide Hydrochloride Monohydrate Impurity F; Metoclopramide Impurity F; Metoclopramide Impurity F

데이터베이스 식별자

CAS
38339-95-6
PubChem CID
9817332
DTXSID
DTXSID40191704
ChEMBL
CHEMBL43695
UNII
P5DX3Q3OG4
EC Number
641-696-1
Nikkaji
J2.945.114A

물성

구조 계산 물성

XLogP
2.8
극성 표면적
78.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
19

물리화학적 성질

녹는점
134 · 134-136℃
끓는 점
423.6 · 423.6±45.0 °C(Predicted)
밀도
1.23 · 1.230±0.06 g/cm3(Predicted)
산도 계수 (pKa)
7.83 · 7.83±0.48(Predicted)
SMILES
O=C(C1=C(O)C=C(N)C(Cl)=C1)NCCN(CC)CC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk
WGK 3
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

공급사50 곳

天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

관련 반응

46건

연결된 노트

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