6,15-DIKETO-13,14-DIHYDRO프로스타글란딘F1ALPHA

6,15-diketo-13,14-dihydroprostaglandin F1alpha

HCID 174013CAS 63983-53-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCC(=O)CC[C@@H]1[C@@H](CC(=O)CCCCC(=O)O)[C@@H](O)C[C@H]1O
InChIKey: KBHLXKOKUVJZIS-MKXGPGLRSA-N
분자식: C20H34O6
평균 분자량: 370.5 g/mol
단동위원소 질량: 370.2355388

이름 및 식별자

우선 이름: 6,15-diketo-13,14-dihydroprostaglandin F1alpha
IUPAC: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
현지명: 6,15-DIKETO-13,14-DIHYDRO프로스타글란딘F1ALPHA
영어명: 6,15-DIKETO-13,14-DIHYDRO PROSTAGLANDIN F1ALPHA
분자식: C20H34O6
분자량: 370.48

이름 및 동의어

63983-53-96,15-Diketo-13,14-dihydro-PGF1alpha6,15-Ddpf3WOJ38O7ZB6,15-Diketo-13,14-dihydroprostaglandin F1alpha6,15-Dioxo-13,14-dihydro-pgf1alphaProstan-1-oic acid, 9,11-dihydroxy-6,15-dioxo-, (9alpha,11alpha)-RefChem:53842413,14-dihydro-6,15-diketo-PGF1 alpha6,15-diketo-13,14-dihydro-PGF1 alpha6,15-DIKETO-13,14-DIHYDRO PROSTAGLANDIN F1alphaUNII-3WOJ38O7ZB

이름 더 보기

6,15-DIKETO-13,14-DIHYDRO프로스타글란딘F1ALPHA6,15-Diketo-13,14-dihydro-PGF1±6,15-Diketo-13,14-dihydro-PGF1α"6,15-Diketo-13,14-dihydro-PGF1a"6,15-diketo-13,14-dihydro Prostaglandin F1α6,15-diketo-13,14-dihydro-*prostaglandin F1A6,15-DIOXO-9ALPHA,11ALPHA-DIHYDROXY-PROSTAN-1-OIC ACIDProstan-1-oic acid, 9,11-dihydroxy-6,15-dioxo-, (9α,11α)-6,15-diketo-13,14-dihydro Prostaglandin F1α Lipid Maps MS Standard7-((1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl)-6-oxoheptanoic acid

13,14-Dihydro-6,15-diketo-PGF1alpha7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid6,15-diketo-13,14-dihydro PGF1alpha6,15-diketo-13,14-dihydro Prostaglandin F1|Aorb16934986,15-DIKETO-13,14-DIHYDROPROSTAGLANDINF1ALPHASCHEMBL20613687DTXSID60981700

데이터베이스 식별자

CAS: 63983-53-9
PubChem CID: 174013
DTXSID: DTXSID60981700
UNII: 3WOJ38O7ZB
EC Number: 633-201-2
Nikkaji: J1.295.637A

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 112 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 14
무거운 원자 수: 26
형식 전하: 0
복잡도: 461

물리화학적 성질

끓는 점: 587.8 · 587.8±45.0 °C(Predicted)
밀도: 1.128 · 1.128±0.06 g/cm3(Predicted)
저장 조건: 20 °C · −20°C
용해도: 100 mg/ml; · DMF: >100 mg/ml; DMSO: >50 mg/ml; Ethanol: >16 mg/ml; PBS pH 7.2: >3.3 mg/ml
산도 계수 (pKa): 4.69 · 4.69±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

안전 데이터

wgk: 3
risk_code: 20/21/22
hazard_code: Xn
safety_code: 7-9

화학 및 산업

응용 분야

용도6,15-Diketo-13,14-dihydro-PGF1α is a metabolite of Prostaglandin (P838600), a primary Prostaglandin; easily crystallized from purified biological extracts. Vasodilator (peripheral).

공급사9 곳

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

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

연결된 노트

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