기본 정보
- CAS
618902-12-8- 표준 SMILES
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2c(-c3c(O)ccc4c(C(=O)c5ccc(OCCN6CCCCC6)cc5)c(-c5ccc(O)cc5)sc34)c(O)ccc12- InChIKey
YRRTXEHIDQKSOF-UHFFFAOYSA-N- 분자식
- C56H52N2O8S2
- 평균 분자량
- 945.2 g/mol
- 단동위원소 질량
- 944.31650897
이름 및 식별자
- 우선 이름
- Raloxifene Dimer
- IUPAC
- [6-hydroxy-7-[6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-7-yl]-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
- 영어명
- [6-hydroxy-7-[6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-7-yl]-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
- 분자식
- C56H52N2O8S2
- 분자량
- 945.15
이름 및 동의어
Raloxifene Dimer618902-12-8(6,6'-Dihydroxy-2,2'-bis(4-hydroxyphenyl)-[7,7'-bibenzo[b]thiophene]-3,3'-diyl)bis((4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone)RaloxifeneDimerorb3215417Raloxifene Dimer; Raloxifene Dimer; Methanone, 1,1'-[6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)[7,7'-bibenzo[b]thiophene]-3,3'-diyl]bis[1-[4-[2-(1-piperidinyl)ethoxy]phenyl]-; Methanone, [6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)[7,7'-bibenzo[b]thiophene]-3,3'-diyl]bis[[4-[2-Raloxifene Dimer ImpuritySulfamethoxazole Impurity 18Methanone, 1,1'-[6,6'-dihydroxy-2,2'-bis(4-hydroxyphenyl)[7,7'-bibenzo[b]thiophene]-3,3'-diyl]bis[1-[4-[2-(1-piperidinyl)ethoxy]phenyl]-[6-hydroxy-7-[6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-7-yl]-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
데이터베이스 식별자
- CAS
618902-12-8- PubChem CID
물성
구조 계산 물성
- XLogP
- 11.9
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 1,480
물리화학적 성질
- 밀도
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.39 · 7.39±0.50(Predicted)
화학 및 산업
응용 분야
용도Raloxifene Dimer is a dimer of Raloxifene (R100000, HCl); a nonsteroidal, selective estrogen receptor modulator (SERM) and antiosteoporotic.
공급사6 곳
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