3-메톡시에스트라-2,5(10)-디엔-17베타-올

3-Methoxyestra-2,5(10)-dien-17beta-ol

HCID 101963CAS 1091-93-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)C1
InChIKey: XFFZLECPCHQJIR-GFEQUFNTSA-N
분자식: C19H28O2
평균 분자량: 288.4 g/mol
단동위원소 질량: 288.20893014

개요

3-Methoxyestra-2,5(10)-dien-17beta-ol is a 17-hydroxy steroid.

이름 및 식별자

우선 이름: 3-Methoxyestra-2,5(10)-dien-17beta-ol
IUPAC: (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
현지명: 3-메톡시에스트라-2,5(10)-디엔-17베타-올
영어명: 3-methoxyestra-2,5(10)-dien-17beta-ol
분자식: C19H28O2
분자량: 288.42

이름 및 동의어

1091-93-63-Methoxyestra-2,5(10)-dien-17beta-ol1,4-Dihydroestradiol 3-methyl etherUNII-UC5Y491C32UC5Y491C32EINECS 214-130-2NSC-67575DTXSID60148816EC 214-130-2NSC 675751,4-DIHYDRO-3,17-ESTRADIOL 3-METHYL ETHER3-METHOXYESTRA-2,5(10)-DIEN-17.BETA.-OL

이름 더 보기

3-메톡시에스트라-2,5(10)-디엔-17베타-올3-methoxyestra-2,5(10)-dien-17β-ol3-Methoxyestra-2,5(10)-diene-17β-ol3-Methoxy-estra-2,5(10)-diene-17β-ol3-Methoxyestra-2,5(10)-diene-17beta-ol(17b)-3-Methoxyestra-2,5(10)-dien-17-olEstra-2,5(10)-dien-17-ol, 3-methoxy-, (17β)-3-Methoxyestra-2,5(10)-diene-17β-ol, CAS 1091-93-6(13S,17S)-3-Methoxy-13-methyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

3-METHYLOXYESTR-2,5(10)-DIEN-17.BETA.-OL3-METHOXY-19-NORANDROSTA-2(3),5(10)-DIEN-17.BETA.-OLESTRA-2,5(10)-DIEN-17-OL, 3-METHOXY-, (17.BETA.)-ESTRA-2,5(10)-DIEN-17.BETA.-OL, 3-METHOXY-RefChem:94648DTXCID30713073-METHYLOXYESTR-2,5(10)-DIEN-17BETA-OL3-METHOXY-19-NORANDROSTA-2(3),5(10)-DIEN-17BETA-OLESTRA-2,5(10)-DIEN-17-OL, 3-METHOXY-, (17BETA)-ESTRA-2,5(10)-DIEN-17BETA-OL, 3-METHOXY-

데이터베이스 식별자

CAS: 1091-93-6
PubChem CID: 101963
DTXSID: DTXSID60148816
ChEBI: CHEBI:34341
UNII: UC5Y491C32
EC Number: 214-130-2
Nikkaji: J217.209G

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 21
형식 전하: 0
복잡도: 504

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

증기압: 0.001 Pa · 0.001Pa at 25℃
수용성: 5 mg/L · 5mg/L at 25℃
LogP: 5.62 at · 5.62 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 23-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12766

Hazard Classes and CategoriesRepr. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361

화학 및 산업

응용 분야 · 1건

용도3-Methoxyestra-2,5(10)-diene-17β-ol has been shown to up regulate estrogen receptor (ER), ER-α and ER-β in a time-dependent manner which significantly increases mRNA expression and time-dependently decreases ER-β/ER-α ratio in skin fibroblasts in postmenopausal women.