6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)
기본 정보
- CAS
917805-74-4- 표준 SMILES
CC(C)(C)N.CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O- InChIKey
OBQRUQWCSRLLAM-DHMAKVBVSA-N- 분자식
- C26H39FN4O6S
- 평균 분자량
- 554.7 g/mol
- 단동위원소 질량
- 554.25743431
이름 및 식별자
- 우선 이름
- 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)
- IUPAC
- (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid;2-methylpropan-2-amine
- 영어명
- tert.butyl amine salt of (+)-(3R, 5S)-7[4-(4-Fluorophenyl)-6-Isopropyl-2 [methyl-(methylsulfonyl amino] pyrimidin-5-yl]-3,5- dihydroxy-6(E)- heptenoic acid
- 분자식
- C26H39FN4O6S
- 분자량
- 554.68
이름 및 동의어
D4M5V2K6E9917805-74-46-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)-, compd. with 2-methyl-2-propanamine (1:1)RefChem:1073957tert-Butylazanium;(E,3R,5S)-7-(4-(4-fluorophenyl)-2-(methyl(methylsulfonyl)amino)-6-propan-2-ylpyrimidin-5-yl)-3,5-dihydroxyhept-6-enoateRosuvastatin tert-butylamineSCHEMBL2564793OBQRUQWCSRLLAM-DHMAKVBVSA-N(3R,5S,6E)-7-[4-(4-Fluorophenyl)-2-[Methyl(Methylsulfonyl)Amino]-6-(Propan-2-Yl)Pyrimidin-5-Yl]-3,5-Dihydroxyhept-6-Enoic Acid 2-Methylpropan-2-Amine(3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-Heptenoic acid, 2-methyl-2-propanamine (1:1)tert-Butylazanium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
물성
구조 계산 물성
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 792
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationREACH registered substance: tert.butyl amine salt of (+)-(3R, 5S)-7[4-(4-Fluorophenyl)-6-Isopropyl-2 [methyl-(methylsulfonyl amino] pyrimidin-5-yl]-3,5- dihydroxy-6(E)- heptenoic acid (EC: 682-385-0)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
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