기본 정보
- CAS
1292296-11-7- 표준 SMILES
COC(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C- InChIKey
AXRYRYVKAWYZBR-SEVDZJIVSA-N- 분자식
- C38H52N6O7
- 평균 분자량
- 704.9 g/mol
- 단동위원소 질량
- 704.38974802
이름 및 식별자
- 우선 이름
- (3S,8R,9R,12S)-Atazanavir
- IUPAC
- methyl N-[(2S)-1-[2-[(2R,3R)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
- 현지명
- (3R,8S,9S,12R)-아타자나비르
- 영어명
- (3R,8S,9S,12R)-Atazanavir
- 분자식
- C38H52N6O7
- 분자량
- 704.86
이름 및 동의어
QU98MUT63JAtazanavir S,R,R,S-diastereomer(3S,8R,9R,12S)-AtazanavirMethyl ((5S,10R,11R,14S)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-((4-(pyridin-2-yl)phenyl)methyl)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl)carbamateMethyl [(5S,10R,11R,14S)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-[[4-(pyridin-2-yl)phenyl]methyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamateMethyl [(5S,10R,11R,14S)-11-Benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-[[4-(pyridin-2-yl)phenyl]methyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate; (3S,8R,9R,12S)-Atazanavir; 8,9-diepi-AtazanavirAtazanavir EP Impurity HUNII-QU98MUT63J1,14-Dimethyl (3R,8S,9S,12R)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-2,5,6,10,13-pentaazatetradecanedioate2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, 1,14-dimethyl ester, (3R,8S,9S,12R)-Atazanavir sulfate impurity H [EP]
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- InChIKey
- AXRYRYVKAWYZBR-YDPTYEFTSA-N
- SMILES
- C(OC)(=O)N[C@H](C(C)(C)C)C(=O)NN(CC1=CC=C(C2=NC=CC=C2)C=C1)C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](C(C)(C)C)NC(OC)=O
화학 및 산업
응용 분야
용도(3R,8S,9S,12R)-Atazanavir is an impurity of Atazanavir (A790051). Atazanavir impurity 2.
공급사21 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
奥锐特药业（天津）有限公司022-59885855
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…