기본 정보
- CAS
81919-18-8- 표준 SMILES
Oc1ccc2c3c1O[C@H]1[C@H](NCCOCCOCCN[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314- InChIKey
OPDFUQJBZZJZRG-WPJYNPJPSA-N- 분자식
- C46H62N4O8
- 평균 분자량
- 799 g/mol
- 단동위원소 질량
- 798.45676495
이름 및 식별자
- 우선 이름
- Tena
- IUPAC
- (4R,4aS,7R,7aR,12bS)-7-[2-[2-[2-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]ethoxy]ethoxy]ethylamino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
- 현지명
- 6,6'-(에틸렌비스(옥시에틸렌이미노))비스(17-시클로프로필메틸)-4,5-에폭시모르피난-3,14-디올
- 영어명
- 6,6'-(ethylenebis(oxyethyleneimino))bis(17-cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol
- 분자식
- C46H62N4O8
- 분자량
- 799.00648
이름 및 동의어
TENA81919-18-81,8-Bis(beta-naltrexamino)-3,6-dioxaoctaneDTXSID8011043406,6'-(Ethylenebis(oxyethyleneimino))bis(17-cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol(4R,4aS,7R,7aR,12bS)-7-[2-[2-[2-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]ethoxy]ethoxy]ethylamino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol(5I+/-,6I(2))-(5a(2)I+/-,6a(2)I(2))-6,6a(2)-[1,2-Ethanediylbis(oxy-2,1-ethanediylimino)]bis[17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol]Morphinan-3,14-diol, 6,6'-(1,2-ethanediylbis(oxy-2,1-ethanediylimino))bis(17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-(5'alpha,6'beta)-6,6'-(에틸렌비스(옥시에틸렌이미노))비스(17-시클로프로필메틸)-4,5-에폭시모르피난-3,14-디올(5α,5'α,6β,6'β)-6,6'-[1,2-Ethanediylbis(oxy)bis(2,1-ethanediylimino)]bis[17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol]
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,430
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