디클라주릴6-카복실산
2-(3,5-Dichloro-4-((RS)-(4-chlorophenyl)cyanomethyl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
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기본 정보
- CAS
862243-46-7- 표준 SMILES
N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2nc(C(=O)O)c(=O)[nH]c2=O)cc1Cl- InChIKey
AHUKSKRPLYKKLC-UHFFFAOYSA-N- 분자식
- C18H9Cl3N4O4
- 평균 분자량
- 451.6 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,5-Dichloro-4-((RS)-(4-chlorophenyl)cyanomethyl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
- IUPAC
- 2-[3,5-dichloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
- 현지명
- 디클라주릴6-카복실산
- 영어명
- Diclazuril 6-Carboxylic Acid
- 분자식
- C18H9Cl3N4O4
- 분자량
- 451.65
이름 및 동의어
862243-46-7Diclazuril 6-Carboxylic AcidUNII-P1W2W64FNWP1W2W64FNWDiclazuril, 6-carboxylic acid-2-(3,5-Dichloro-4-((RS)-(4-chlorophenyl)cyanomethyl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid2-[3,5-dichloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid2-[3,5-dichloro-4-[(4-chlorophenyl)cyanomethyl]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carboxylic acidDiclazuril EP Impurity AAHUKSKRPLYKKLC-UHFFFAOYSA-N2-[3,5-dichloro-4-[(RS)-(4-chlorophenyl)cyanomethyl]phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acidDICLAZURIL IMPURITY A
이름 더 보기
디클라주릴6-카복실산Sildenafil Impurity 77(Norneosildenafil)1,2,4-Triazine-6-carboxylic acid, 2-[3,5-dichloro-4-[(4-chlorophenyl)cyanomethyl]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-Diclazuril - Impurity A/Diclazuril 6-Carboxylic Acid 2-[3,5-Dichloro-4-[(4-chlorophenyl)cyanomethyl]phenyl]-2,3,4, 5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carboxylic Acid
SCHEMBL8147825DICLAZURIL, 6-CARBOXYLIC ACIDQ27286015DICLAZURIL FOR VETERINARY USE IMPURITY A [EP IMPURITY]DICLAZURIL IMPURITY, 6-CARBOXYLIC ACID- [USP IMPURITY](+/-)-2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(3,5-DICHLORO-4-((4-CHLOROPHENYL)CYANOMETHYL)PHENYL)-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBOXYLIC ACID, (+/-)-
데이터베이스 식별자
- CAS
862243-46-7- PubChem CID
- 18942170
- UNII
- P1W2W64FNW
물성
구조 계산 물성보충 중
- XLogP
- 4.6
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 762
물리화학적 성질
- 녹는점
- 300 oC · >300oC
- 저장 조건
- Amber Vial, Refrigerator, Under Inert Atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 페일베이지
화학 및 산업
응용 분야
용도Diclazuril 6-Carboxylic Acid is an impurity of Diclazuril (D436200), a nucleotide analog with broad-spectrum anticoccidial activity.
관련 반응
2건
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