(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester

HCID 68502869

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 629652-42-2
표준 SMILES: COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCO3)N1C(=O)CCl
InChIKey: JUKHNCNDFOAFLT-KKSFZXQISA-N
분자식: C22H19ClN2O5
평균 분자량: 426.8 g/mol

이름 및 식별자

우선 이름: (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
IUPAC: methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
영어명: (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
분자식: C22H19ClN2O5
분자량: 426.85

이름 및 동의어

629652-42-2Tadalafil Impurity 13(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester(1S,3S)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylateTadalafil Impurity 17JUKHNCNDFOAFLT-KKSFZXQISA-N(1S,3S)-ChloropretadalafilSCHEMBL3076438DB-299480CS-0166248(1S,3S)-methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate? (Tadalafil Impuritycis 1-benzo[1,3]dioxol-5-yl-2-(2-chloro-acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester

이름 더 보기

TDF-LA-M2Tadalafil-005Tadalafil-005-1S3STadalafil Impurity 68(1S, 3S) Open Ring Tadalafil ImpurityTadalafil intermediate II enantiomer (s, s)methyl (1S,3S)-1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido [3,4-b]indole-3-carboxylate1H-Pyrido[3,4-b]indole-3-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methylester, (1S,3S)-

Cis-1 -benzo [1,3 ]dioxol-5 -yl-2-(2-chloro-acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl esterCis-1-benzo[1,3]dioxol-5-yl-2-(2-chloro-acetyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid methyl ester

데이터베이스 식별자

CAS: 629652-42-2
PubChem CID: 68502869

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 80.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 30
형식 전하: 0
복잡도: 678

물리화학적 성질

녹는점: 208 · 208-210oC
저장 조건: Room Temp
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
색상: 연노랑

화학적 성질

Pale Yellow Solid

화학 및 산업

응용 분야

용도Tadalafil (T004500) derivative.

공급사44 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]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

화합물 노트

불러오는 중…