(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one

HCID 10005375
노트반응
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기본 정보

CAS
41639-72-9
표준 SMILES
O=C(/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1
InChIKey
IKVNJBXCGFXOJM-FRYMLLMQSA-N
분자식
C31H28O5
평균 분자량
480.5 g/mol

이름 및 식별자

우선 이름
(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one
IUPAC
[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
영어명
[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester
분자식
C31H28O5
분자량
480.55

이름 및 동의어

41639-72-9(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one(1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-[(4-phenylbenzoyl)oxy]-2-oxabicyclo[3.3.0]octan-3-oneRefChem:394227682-023-1[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-Phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoateIKVNJBXCGFXOJM-FRYMLLMQSA-NRMZ7K7FQT8SCHEMBL1364975WLZ3884
이름 더 보기
LT-BPKProstaglandin Impurity 13LT-BPK(BiMaprost￠Latanprost)[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-...Biphenyl-4-carboxylic acid2-oxo-4-(3-oxo-5-phenyl-pent-1-enyl)-hexahydro-cyclopenta[b]furan-5-ylester(3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-phenylpent-1-enyl)hexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester[1,1'-Biphenyl]-4-carboxylic acid,(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester
(3aR,4R,5R,6aS)-2-oxo-4-[(1E)-3-oxo-5-phenylpent-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylateAKOS015896655AC-24762DB-225305(3aR,4R,5R,6aS)-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(4-phenylbenzoyloxy)-hexahydro-2H-cyclopenta[b]furan-2-one(3aR,4R,5R,6aS)-hexahydro-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(p-phenyl-benzoyloxy)-2H-cyclopenta[b]furan-2-one(3aR,4R,5R,6aS)-hexahydro-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(p-phenylbenzoyloxy)-2H-cyclopenta[b]furan-2-one[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester

데이터베이스 식별자

CAS
41639-72-9
PubChem CID
10005375
UNII
RMZ7K7FQT8
EC Number
682-023-1
Nikkaji
J2.876.210K

물성

구조 계산 물성

XLogP
5.6
극성 표면적
69.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
36

물리화학적 성질

녹는점
130 · 130-131 °C
끓는 점
695.2 · 695.2±55.0 °C(Predicted)
밀도
1.26 · 1.26
용해도
디클로로메탄 또는 에틸 아세테이트에 용해됨
물리적 상태
고체
색상
하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): 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)

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

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319

화학 및 산업

응용 분야 · 1건

용도[1,1''-Biphenyl]-4-carboxylic Acid (3aR,4R,5R,6aS)-Hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-penten-1-yl]-2H-cyclopenta[b]furan-5-yl ester is an intermediate in the synthesis of Latanoprost (L177280) related analogues used in the treatment of glaucoma and various degenerative eye diseases.

상·하류 제품 정보

공급사34 곳

湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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