9-Methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
기본 정보
- CAS
125656-83-9- 표준 SMILES
COc1ccc2nc3n4cc(C)c(=O)c(C)c4c(=S)n3c2c1- InChIKey
WYBVBNOWEQJIER-UHFFFAOYSA-N- 분자식
- C16H13N3O2S
- 평균 분자량
- 311.4 g/mol
- 단동위원소 질량
- 311.07284784
이름 및 식별자
- 우선 이름
- 9-Methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
- IUPAC
- 4-methoxy-12,14-dimethyl-16-sulfanylidene-1,8,10-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,11,14-hexaen-13-one
- 영어명
- Omeprazole EP Impurity G
- 분자식
- C16H13N3O2S
- 분자량
- 311.36
이름 및 동의어
125656-83-99-Methoxy-1,3-dimethyl-12-thioxopyrido(1',2':3,4)imidazo(1,2-a)benzimidazol-2(12H)-oneUNII-02U2W351ILOmeprazole specified impurity G [EP]02U2W351ILPyrido(1',2':3,4)imidazo(1,2-a)benzimidazol-2(12H)-one, 9-methoxy-1,3-dimethyl-12-thioxo-DTXSID80154838OMEPRAZOLE IMPURITY G [EP IMPURITY]9-Methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-onePyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one, 9-methoxy-1,3-dimethyl-12-thioxo-OMEPRAZOLE IMPURITY G (EP IMPURITY)RefChem:107986
이름 더 보기
Omeprazole Related Compound GOmeprazole EP Imp Gmeprazole EP Impurity GOMeprazole IMpurity-G (EP)Linagliptin Impurity CD10091Esomeprazole Sodium Impurity GOmeprazole USP Related Compound GEsomeprazole Sodium EP Impurity G
Omeprazole specified impurity GDTXCID3077329Omeprazole EP Impurity GOmeprazole Impurity G9-Methoxy-1,3-dimethyl-12-thioxo-pyrido[1',2',3,4]imidazo[1,2-a]benzimidazol-2-(12H)-one4-methoxy-12,14-dimethyl-16-sulfanylidene-1,8,10-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,11,14-hexaen-13-one9-Methoxy-1,3-dimethyl-12-thioxobenzo[4',5']imidazo[2',1':2,3]imidazo[1,5-a]pyridin-2(12H)-one9-Methoxy-1,3-dimethyl-12-thioxo-pyrido[1',2':3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
데이터베이스 식별자
- CAS
125656-83-9- PubChem CID
- 29983080
- DTXSID
DTXSID80154838- UNII
- 02U2W351IL
- EC Number
- 641-662-6
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 79.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 627
물리화학적 성질
- 끓는 점
- 469.1 · 469.1±55.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3 (20 ºC 760 Torr)
- 산도 계수 (pKa)
- 1.4 · 1.40±0.60(Predicted)
- InChI
- InChI=1S/C16H13N3O2S/c1-8-7-18-13(9(2)14(8)20)15(22)19-12-6-10(21-3)4-5-11(12)17-16(18)19/h4-7H,1-3H3
- InChIKey
- WYBVBNOWEQJIER-UHFFFAOYSA-N
- SMILES
- C12N3C=C(C)C(=O)C(C)=C3C(=S)N1C1=CC(OC)=CC=C1N=2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
화학 및 산업
응용 분야
용도An impurity arising in the synthesis of Omeprazole
관련 반응
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