기본 정보
- CAS
115609-60-4- 표준 SMILES
CN(C)CCC1CN(C)C(=S)c2cccnc2O1.O=C(O)/C=C/C(=O)O- InChIKey
LZFCSDIBLCSFAK-WLHGVMLRSA-N- 분자식
- C17H23N3O5S
- 평균 분자량
- 381.4 g/mol
이름 및 식별자
- 우선 이름
- Rocastine fumarate
- IUPAC
- (E)-but-2-enedioic acid;2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
- 영어명
- 2-[2-(Dimethylamino)ethyl]-3,4-dihydro-4-methylpyrido[3,2-f][1,4]oxazepine-5(2H)-thione/(E)-2-butenedioic acid,(1:x)
- 분자식
- C17H23N3O5S
- 분자량
- 381.44662
이름 및 동의어
Rocastine fumarateK0F56K7CMZ91833-50-0Pyrido(3,2-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-, (2E)-2-butenedioatePyrido(3,2-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-, (2E)-2-butenedioate (1:1)Pyrido(3,2-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-, (E)-2-butenedioateRefChem:179750115609-60-4AHR 11325(E)-but-2-enedioic acid;2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thioneUNII-K0F56K7CMZSCHEMBL10368877
이름 더 보기
AHR-113252-[2-(Dimethylamino)ethyl]-3,4-dihydro-4-methylpyrido[3,2-f][1,4]oxazepine-5(2H)-thione/(E)-2-butenedioic acid,(1:x)
LZFCSDIBLCSFAK-WLHGVMLRSA-N2-(2-(dimethylamino)ethyl)-4-methyl-3,4-dihydropyrido[3,2-f][1,4]oxazepine-5(2H)-thione fumarateQ272817792-(2-(Dimethylamino)ethyl)-4-methyl-3,4-dihydropyrido[3,2-f][1,4]oxazepine-5(2H)-thione xfumarate2-[2-(Dimethylamino)ethyl]-2,3-dihydro-4-methylpyrido[3,2-f][1,4]-oxazepine-5(4H)-thione fumarate
데이터베이스 식별자
- CAS
115609-60-4、91833-50-0- PubChem CID
- 6917885
- UNII
- K0F56K7CMZ
물성
구조 계산 물성
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 417
관련 반응
7건
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