Levofloxacin q-acid

HCID 688333CAS 100986-89-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
NVKWWNNJFKZNJO-YFKPBYRVSA-N
분자식
C13H9F2NO4
평균 분자량
281.21 g/mol
단동위원소 질량
281.04996421

개요

Ofloxacin impurity a is a member of quinolines.

이름 및 식별자

우선 이름
Levofloxacin q-acid
IUPAC
(2S)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
영어명
Levofloxacin carboxylic acid
분자식
C13H9F2NO4
분자량
281.21

이름 및 동의어

100986-89-8Levofloxacin Q-AcidLevofloxacin q-acid, (-)-UNII-08GT8FY84E08GT8FY84E7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-DTXSID60143604(S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine-6-carboxylic acid7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-LEVOFLOXACIN HEMIHYDRATE IMPURITY F [EP IMPURITY](S)-9,10-DIFLUORO-3-METHYL-7-OXO-2,3-DIHYDRO-7H-PYRIDO(1,2,3-DE)(1,4)BENZOXAZINE-6-CARBOXYLIC ACIDLEVOFLOXACIN HEMIHYDRATE IMPURITY F (EP IMPURITY)
이름 더 보기
Levofloxacin Related CoMpound BLevefluorocarboxylic AcidLevofloxacin EP Impurity C8,9-difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acidS-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE][1,4]-BENZOXAZINE-6-CARBOXYLIC ACIDS-(-)-9,10-DIFLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO-[1,2,3-DE] [1,4]-BENZOXAZINE-6-CARBOXYLIC ACID(S)-(-)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 97%7H-Pyrido[1oxacin Q-Acid10-difluoro-2
RefChem:153208DTXCID9066095923-011-0Levofloxacin carboxylic acid(S)-9,10-Difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acidMFCD04039905(2S)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acidSCHEMBL2333806

데이터베이스 식별자

CAS
100986-89-8
PubChem CID
688333
DTXSID
DTXSID60143604
ChEBI
CHEBI:167723
UNII
08GT8FY84E
EC Number
622-908-1、923-011-0
Nikkaji
J795.481F

물성

구조 계산 물성

XLogP
2.1
극성 표면적
66.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
1
무거운 원자 수
20

물리화학적 성질

녹는점
300 °C · >300 °C (lit.)
끓는 점
459.2 · 459.2±45.0 °C(Predicted)
밀도
1.61 · 1.61±0.1 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO (약간 용해됨)
산도 계수 (pKa)
4.87 · 4.87±0.40(Predicted)

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
HS 번호
29349990
risk_code
36/37/38-36/37/3
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

화학 및 산업

응용 분야

용도Levofloxacin intermediate.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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