AM6545

HCID 46912919
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기본 정보

CAS
1245626-05-4
표준 SMILES
Cc1c(C(=O)NN2CCS(=O)(=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCC#N)cc1
InChIKey
XBHQLFVDGLPBCK-UHFFFAOYSA-N
분자식
C26H23Cl2N5O3S
평균 분자량
556.5 g/mol
단동위원소 질량
555.0898662

이름 및 식별자

우선 이름
AM6545
IUPAC
5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide
영어명
5-(4-[4-cyanobut-1-ynyl]phenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1,1-dioxo-thiomorpholino)-1H-pyrazole-3-carboxamide
분자식
C26H23Cl2N5O3S
분자량
556.46

이름 및 동의어

AM6545AM-6545DTXSID706773295-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide5-(4-(4-cyanobut-1-ynyl)phenyl)-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamideRefChem:915629DTXCID706280781245626-05-4AM 65455-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamideCHEMBL33418985-(4-[4-cyanobut-1-ynyl]phenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1,1-dioxo-thiomorpholino)-1H-pyrazole-3-carboxamide
이름 더 보기
AM-6545,AM65455-[4-(4-Cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-1H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, 5-[4-(4-cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-
XBHQLFVDGLPBCK-UHFFFAOYSA-NC26H23Cl2N5O3SSCHEMBL662200orb1704695SCHEMBL29387066GTPL10029CHEBI:231613EX-A9386

데이터베이스 식별자

CAS
1245626-05-4
PubChem CID
46912919
DTXSID
DTXSID70677329
ChEMBL
CHEMBL3341898
ChEBI
CHEBI:231613
EC Number
689-655-7

물성

구조 계산 물성

XLogP
4.5
극성 표면적
116 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
37

물리화학적 성질

저장 조건
2 · 2-8°C
용해도
25 mg/mL · DMSO: >25mg/mL
물리적 상태
가루
색상
흰색에서 황백색까지
InChIKey
XBHQLFVDGLPBCK-UHFFFAOYSA-N
SMILES
Cc1c(nn(-c2ccc(Cl)cc2Cl)c1-c3ccc(cc3)C#CCCC#N)C(=O)NN4CCS(=O)(=O)CC4

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

wgk
3
risk_code
36
hazard_code
Xi
safety_code
26
Hazard Classifications
Eye Irrit. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

공급사21 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
Aladdin Scientific[email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]

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