17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
기본 정보
- CAS
136781-89-0- 표준 SMILES
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5- InChIKey
RMRJXGBAOAMLHD-UHFFFAOYSA-N- 분자식
- C29H41NO4
- 평균 분자량
- 467.6 g/mol
- 단동위원소 질량
- 467.30355879
개요
See also: Buprenorphine (annotation moved to); Buprenorphine Hydrochloride (annotation moved to) ... View More ...
이름 및 식별자
- 우선 이름
- 17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
- IUPAC
- 5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
이름 및 동의어
DTXSID6086064717-(cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-olRefChem:1057603DTXCID30197311RX 6029MCHEMBL3580442SCHEMBL10031247SCHEMBL29473424RMRJXGBAOAMLHD-UHFFFAOYSA-N136781-89-0LFA78189NS00076923
이름 더 보기
L001234Buprenorphine-d4 (cyclopropyl-2,2,3,3-d4) hydrochloride(1S,2S,6R,15S,16R)-5-(Cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol[5.alpha.,7.alpha.(S)]-17-(Cyclopropylmethyl)-.alpha.-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-.alpha.-methyl-6,14-ethenomorphinan-7-methanol6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-.alpha.-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-.alpha.-methyl-, (5-.alpha.,7-.alpha.-(S))-
데이터베이스 식별자
- CAS
136781-89-0- PubChem CID
- 2476
- DTXSID
DTXSID60860647- ChEMBL
CHEMBL3580442- EC Number
- 802-948-8
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 62.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 869
실험 및 물리화학적 성질
DrugsPharmaceuticals
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
관련 반응
1건
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