아자트로마이신

9-Deoxo-9a-aza-9a-homoerythromycin A

HCID 9810601
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기본 정보

CAS
76801-85-9
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](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey
HRKNNHYKWGYTEN-HOQMJRDDSA-N
분자식
C37H70N2O12
평균 분자량
735 g/mol
단동위원소 질량
734.49287568

개요

structure given in first source

이름 및 식별자

우선 이름
9-Deoxo-9a-aza-9a-homoerythromycin A
IUPAC
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
현지명
아자트로마이신
영어명
Azathramycin
분자식
C37H70N2O12
분자량
734.96

이름 및 동의어

76801-85-9Azaerythromycin ADD-Azaerythromycin A9-Deoxo-9a-aza-9a-homoerythromycin A4LSP9FJT5B10-Dihydro-10-deoxo-11-azaerythromycin ARefChem:560445616-385-9AzathramycinUNII-4LSP9FJT5BMFCD09038719Azithromycin EP Impurity A
이름 더 보기
아자트로마이신Azithromycin AmineDesmethylDESMETHYL AZITHROMYCINAzithromycin Impurity PAzithromycin AAzithramycin Amine9-DEOXO-9A-AZA-9A-HEMOERYTHROMYCIN
9-Deoxo-9a-aza-9a-homo Erythromycin AAzaerythromycin(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one9-Deoxo-9a-aza-9a-homo Erythromycin A(Desmethyl Azithromycin)(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one9-Deoxo-9a-aza-9a-homo Erythromycin A Desmethyl AzithromycinAzahomoerythromycinDESME

데이터베이스 식별자

CAS
76801-85-9
PubChem CID
9810601
DTXSID
DTXSID30998123
ChEMBL
CHEMBL1222181
UNII
4LSP9FJT5B
EC Number
616-385-9

물성

구조 계산 물성

XLogP
3.6
극성 표면적
189 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
14
회전 가능 결합 수
7
무거운 원자 수
51

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Azithromycin

물리화학적 성질

녹는점
126 · 126-136°C
끓는 점
815.2 · 815.2±65.0 °C(Predicted)
밀도
1.18 · 1.18
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
13.29 · 13.29±0.70(Predicted)

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (94.5%): 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 73 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 04-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8066
Hazard Classes and CategoriesEye Irrit. 2 (94.5%)

안전 데이터

HS 번호
2934990002

화학 및 산업

상·하류 제품 정보

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]

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