메톡시디에논

Methoxygonadiene

HCID 102242CAS 2322-77-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(OC)=CC4
InChIKey: PQMRKLSVUBRLLQ-XSYGEPLQSA-N
분자식: C20H28O2
평균 분자량: 300.4 g/mol

이름 및 식별자

우선 이름: Methoxygonadiene
IUPAC: (8R,9S,13S,14S)-13-ethyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
현지명: 메톡시디에논
영어명: Methoxydienone
분자식: C20H28O2
분자량: 300.44

이름 및 동의어

Methoxydienone2322-77-2MethoxygonadieneMax LMG12AU99WIMP13-Ethyl-3-methoxy-gona-2,5(10)diene-17-oneGona-2,5(10)-dien-17-one, 13-ethyl-3-methoxy-EINECS 219-034-413-ethyl-3-methoxygona-2,5(10)-dien-17-one13-beta-Ethyl-3-methoxygona-2,5(10)-dien-17-oneDTXSID00104512013-Ethyl-3-methoxy-gona-2,5(10)-dien-17-one

이름 더 보기

메톡시디에논Tren base3-Methoxy-18-methylestra-2,5(10)-dien-17-oneMethoxydienonWueste SubstanceMethoxygonadiene D5na-2,5(10)-dien-17-oneMethoxygonadiene (>90%)13-beta-Ethyl-3-methoxy-

LEVONORGESTREL IMPURITY R [EP IMPURITY]13-.BETA.-ETHYL-3-METHOXYGONA-2,5(10)-DIEN-17-ONELEVONORGESTREL IMPURITY R (EP IMPURITY)RefChem:811811DTXCID101520545219-034-413-beta-Ethyl-3-methoxy-gona-2,5(10)-dien-17-oneLevonorgestrel EP Impurity R

데이터베이스 식별자

CAS: 2322-77-2、6236-40-4
PubChem CID: 102242
DTXSID: DTXSID001045120
UNII: 12AU99WIMP
EC Number: 219-034-4、228-351-7
Nikkaji: J213.193E

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 556

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 122 · 122-124 °C
끓는 점: 448 · 448.0±45.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 270 μg/L · 270μg/L at 20℃
InChI: InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChIKey: PQMRKLSVUBRLLQ-XSYGEPLQSA-N
SMILES: C1(OC)CC2=C(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@](CC)(CC1)C(=O)CC3)CC2
LogP: 5.86 at · 5.86 at 25℃

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Status: Active Update: 29-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18673

Status: Active Update: 14-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16805

Hazard Classes and Categories · 2건

Aquatic Chronic 4 (100%)

Aquatic Acute 1 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H410

화학 및 산업

응용 분야

용도Max LMG is a progestin derived steroid and not a 17-alpha alkylated steroid. Max LMG is structurally related to RU-486 and acts as an antiprogesterone, decreasing estrogen-like effects.

상·하류 제품 정보

상류 원료

공급사50 곳

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

湖北金梭生物科技有限公司00123456789 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

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

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