기본 정보
- CAS
60618-49-7- 표준 SMILES
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1- InChIKey
GARXJOUQUSNOGK-UHFFFAOYSA-N- 분자식
- C24H32N2O2
- 평균 분자량
- 380.5 g/mol
- 단동위원소 질량
- 380.24637826
개요
R-30490 is an opioid related to carfentanil used as an animal tranquilizer. It was first synthesized by Janssen Pharmaceutica as part of a structure-activity relationship study of fentanly and its derivatives. R-30490 was found to be the most selective agonist for the mu opioid receptor out of all the fentanyl analogues tested, but it has never been introduced for medical use in humans, although the closely related drug sufentanil is widely used for analgesia and anesthesia during major surgery.
이름 및 식별자
- 우선 이름
- N-(4-(Methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide
- IUPAC
- N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
- 영어명
- 4-methoxymethylfentanyl
- 분자식
- C24H32N2O2
- 분자량
- 380.52
이름 및 동의어
4-MethoxymethylfentanylR-3049060618-49-7n-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-n-phenylpropanamide03DNV05OD4N-(4-(Methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamideDTXSID30209423Propanamide, N-(4-(methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl)-N-phenyl-N-[4-(methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl]-N-phenylpropanamideN-(4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl)-N-phenylpropanamideRefChem:99656DTXCID50131914
이름 더 보기
Propanamide, N-[4-(methoxymethyl)-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl-
R30490R 30490BRN 0497979UNII-03DNV05OD45-22-11-00375 (Beilstein Handbook Reference)CHEMBL609147SCHEMBL11565181GARXJOUQUSNOGK-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
60618-49-7
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 32.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 461
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 85 °C · 85.0 °C
- 끓는 점
- 492.1 · 492.1±35.0 °C(Predicted)
- 밀도
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.52 · 8.52±0.20(Predicted)
관련 반응
3건
화합물 노트
불러오는 중…