기본 정보
- CAS
318498-76-9- 표준 SMILES
CC1=C\[C@@H](O)C[C@@H](F)Cc2nc(co2)C(=O)N2CCC[C@@H]2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1- InChIKey
DFSJQGCLWZVMOD-IQIMCDJDSA-N- 분자식
- C28H38FN3O6
- 평균 분자량
- 531.6 g/mol
- 단동위원소 질량
- 531.2744641
이름 및 식별자
- 우선 이름
- Flopristin
- IUPAC
- (7R,10R,11R,12E,17E,19E,21S,23R)-23-fluoro-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14-trione
이름 및 동의어
FlopristinFlopristin [INN]OZV2QPB39MUNII-OZV2QPB39MFLOPRISTIN [WHO-DD](16R)-16-Desoxo-16-fluoropristinamycin IIBRPR 132552ARPR 132552RPR-132552318498-76-9NXL-103 COMPONENT RPR-1325523H-21,18-NITRILO-1H,22H-PYRROLO(2,1-C)(1,8,4,19)DIOXADIAZACYCLOTETRACOSINE-1,7,22(4H)-TRIONE, 16-FLUORO-8,9,14,15,16,17,24,25,26,26A-DECAHYDRO-14-HYDROXY-4,12-DIMETHYL-3-(1-METHYLETHYL)-, (3R,4R,5E,10E,12E,14S,16R,26AR)-
이름 더 보기
flopristinaflopristineflopristinum3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22(4H)-trione, 16-fluoro-8,9,14,15,16,17,24,25,26,26a-decahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14S,16R,26aR)-RefChem:140717(3R,4R,5E,10E,12E,14S,16R,26AR)-16-FLUORO-14-HYDROXY-4,12-DIMETHYL-3-(PROPAN-2-YL)-3,4,8,9,14,15,16,17,24,25,26,26A-DODECAHYDRO-1H,7H,22H-21,18-AZENOPYRROLO= (2,1-C)(1,8,4,19)DIOXADIAZACYCLOTETRACOSINE-1,7,22-TRIONE(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione(7R,10R,11R,12E,17E,19E,21S,23R)-23-fluoro-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14-trione
데이터베이스 식별자
- CAS
318498-76-9- PubChem CID
- 9914993
- DTXSID
DTXSID40953763- ChEMBL
CHEMBL4455473- UNII
- OZV2QPB39M
- EC Number
- 690-752-1
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 936
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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