N-Demethylerythromycin A

HCID 10010092CAS 992-62-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
TXOOBKBDBNRQCF-QNPWSHAKSA-N
분자식
C36H65NO13
평균 분자량
719.9 g/mol
단동위원소 질량
719.44559114

이름 및 식별자

우선 이름
N-Demethylerythromycin A
IUPAC
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

이름 및 동의어

N-Demethylerythromycin A992-62-13'-DemethylerythromyonDes-N-methylerythromycinUNII-5CUO27O3DCErythromyon, 3'-demethyl-5CUO27O3DCClarithromycin Impurity RERYTHROMYCIN, N-DEMETHYL-3''-N-DESMETHYLERYTHROMYCIN ACLARITHROMYCIN IMPURITY R [USP-RS]ERYTHROMYCIN IMPURITY B [EP IMPURITY]
이름 더 보기
ERYTHROMYCIN ESTOLATE IMPURITY B [EP IMPURITY]CLARITHROMYCIN IMPURITY R (USP-RS)ERYTHROMYCIN IMPURITY B (EP IMPURITY)ERYTHROMYCIN ESTOLATE IMPURITY B (EP IMPURITY)RefChem:163210N-Demethyl Erythromycin A(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dioneN-Desmethyl Erythromycin

데이터베이스 식별자

CAS
992-62-1
PubChem CID
10010092
DTXSID
DTXSID701382585
ChEMBL
CHEMBL2063468
UNII
5CUO27O3DC
EC Number
641-787-6

물성

구조 계산 물성

XLogP
2.2
극성 표면적
203 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
14
회전 가능 결합 수
7
무거운 원자 수
50

실험 및 물리화학적 성질

LogP2.21

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (98%)

관련 반응

2건
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