Coumingine HCl
기본 정보
- CAS
22149-23-1- 표준 SMILES
C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)CC(C)(C)O)CC[C@]21C.Cl- InChIKey
UPIRBQTUKNVAGI-HVYOZLOQSA-N- 분자식
- C29H48ClNO6
- 평균 분자량
- 542.1 g/mol
- 단동위원소 질량
- 541.3170159
이름 및 식별자
- 우선 이름
- Coumingine HCl
- IUPAC
- [(2S,4aR,4bS,7E,8R,8aS,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-1,1,4a,8-tetramethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthren-2-yl] 3-hydroxy-3-methylbutanoate;hydrochloride
이름 및 동의어
Coumingine hydrochlorideCoumingine HCl405KR8VC10UNII-405KR8VC10COUMINGINE HYDROCHLORIDE [MI]22149-23-18-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, 3-hydroxy-3-methylbutyrate (ester), hydrochloride3-HYDROXY-3-METHYLBUTANOIC ACID (2S,4AR,4BS,7E,8R,8AS,10AR)-7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDEBUTANOIC ACID, 3-HYDROXY-3-METHYL-, 7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDE, (2S-(2.ALPHA.,4A.ALPHA.,4B.BETA.,7E,8.BETA.,8A.ALPHA.,10A.BETA.))-Butanoic acid, 3-hydroxy-3-methyl-, 7-(2-(2-(dimethylamino)ethoxy)-2-oxoethylidene)tetrahydro-1,1,4a,8-tetramethyl-9-oxo-2-phenanthrenyl ester, hydrochloride, (2S-(2alpha,4aalpha,4bbeta,8beta,8aalpha,10aalpha))-RefChem:200253BUTANOIC ACID, 3-HYDROXY-3-METHYL-, 7-(2-(2-(DIMETHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)TETRADECAHYDRO-1,1,4A,8-TETRAMETHYL-9-OXO-2-PHENANTHRENYL ESTER, HYDROCHLORIDE, (2S-(2ALPHA,4AALPHA,4BBETA,7E,8BETA,8AALPHA,10ABETA))-
이름 더 보기
Q27258291
데이터베이스 식별자
- CAS
22149-23-1- PubChem CID
- 21116642
- UNII
- 405KR8VC10
물성
구조 계산 물성
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 890
관련 반응
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