7-Deazahypoxanthine (HCID 135408689)

이름 및 식별자

우선 이름: 7-Deazahypoxanthine
IUPAC: 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
영어명: Pyrrolo[2,3-d]pyrimidin-4-ol
분자식: C6H5N3O
분자량: 135.12

이름 및 동의어

3680-71-57-Deazahypoxanthine3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one4-Hydroxypyrrolopyrimidine1,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-ONENSC 59251NSC 1241641,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-oneDTXSID301902813,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-oneRefChem:105983DTXCID40112772

이름 더 보기

1H-Pyrrolo[2,3-d]pyrimidin-4-ol3,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-4-ONE1,7-dih7-Deaza-6-hydroxy

FBMZEITWVNHWJW-UHFFFAOYSA-N7H-Pyrrolo[2,3-d]pyrimidin-4-olPyrrolo[2,3-d]pyrimidin-4-ol3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one4-hydroxypyrrolo[2,3-d]pyrimidine1H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE1194710-85-44-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine

데이터베이스 식별자

CAS: 3680-71-5
PubChem CID: 135408689
DTXSID: DTXSID30190281
ChEMBL: CHEMBL186582
UNII: 8W6UF5S8F3
EC Number: 640-613-6
Nikkaji: J641.018I

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 57.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 345 · 345-348°C
끓는 점: 473.1 · 473.1±18.0 °C(Predicted)
밀도: 1.62 · 1.62±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 디메틸설폭사이드에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): 11.99 · 11.99±0.20(Predicted)
색상: 갈색
InChI: InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKey: FBMZEITWVNHWJW-UHFFFAOYSA-N
SMILES: C1NC(=O)C2C=CNC=2N=1

화학적 성질

Colourless Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesSkin Irrit. 2 (12.8%)；Skin Sens. 1 (89.4%)；Eye Irrit. 2 (100%)；STOT SE 3 (10.6%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36-43
hazard_code: Xi
safety_code: 26-36/37
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Xanthine oxidase-activated prodrug of thymidine phosphorylase inhibitor

상·하류 제품 정보

상류 원료

브로모아세트알데히드디에틸아세탈 탄산 칼륨 나트륨 아이오딘산나트륨 Raney nickel 염화 암모늄 에틸 사이아노아세테이트 티오요소

하류 제품

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 7H-Pyrrolo[2,3-d]pyrimidine 5-iodo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine 4-클로로-6-요오도-7H-피롤로[2,3-d]피리미딘 7H-피롤로[2,3-d]피리미딘,7-메틸-(9CI)

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ark Pharm, Inc.847-367-3680 · [email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

연결된 노트

불러오는 중…

7-Deazahypoxanthine

기본 정보