CAS 6218-29-7 9(10)-Dehydronandrolone (HCID 11747706)

기본 정보

CAS: 6218-29-7
표준 SMILES: C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIKey: PUQSDJZESAQGQS-OWSLCNJRSA-N
분자식: C18H24O2
평균 분자량: 272.4 g/mol
단동위원소 질량: 272.17763

이름 및 식별자

우선 이름: 9(10)-Dehydronandrolone
IUPAC: (8S,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
현지명: 9(10)-데하이드로안드로론
영어명: 9(10)-Dehydronandrolone
분자식: C18H24O2
분자량: 272.38

이름 및 동의어

6218-29-79(10)-Dehydronandrolone17beta-Hydroxyestra-4,9-dien-3-one9,10-Dehydro-19-nortestosteroneZX4VV1AKUFRU-31183-Oxo-4,9-estradien-17beta-ol4,9-Estradien-17beta-ol-3-oneEstra-4,9-diene-17beta-ol-3-one17 beta-Hydroxy-4,9-estradien-3-oneDTXSID80471835(17beta)-17-Hydroxyestra-4,9-dien-3-one

이름 더 보기

9(10)-데하이드로안드로론Dienolone17β-Hydroxyestra-4,9-dien-3-one17β-hydroxy-estra-4,9-dien-3-oneRU 3118TRENAZONEMethyl diketoneHYDROXYESTRADIENONEepi-Nortestosterone

3-OXO-4,9-ESTRADIEN-17.BETA.-OL4,9-ESTRADIEN-17.BETA.-OL-3-ONEEC 612-953-5ESTRA-4,9-DIENE-17.BETA.-OL-3-ONE17.BETA.-HYDROXYESTRA-4,9-DIEN-3-ONEEstra-4,9-dien-3-one, 17-hydroxy-, (17beta)-(17.BETA.)-17-HYDROXYESTRA-4,9-DIEN-3-ONEESTRA-4,9-DIEN-3-ONE, 17-HYDROXY-, (17.BETA.)-

데이터베이스 식별자

CAS: 6218-29-7

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 20
형식 전하: 0
복잡도: 528

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 190 °C · 190°C(lit.)
끓는 점: 466.8 · 466.8±45.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 15 · 15.00±0.40(Predicted)
색상: Light yellow to Yellow to Orange
수용성: 53 mg/L · 53mg/L at 20℃
InChI: InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/s3
InChIKey: PUQSDJZESAQGQS-IWZYPTQDNA-N
SMILES: C12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CCC=21)O |&1:3,5,8,10,r|
LogP: 2.4 at · 2.4 at 25℃

화학적 성질

Off-white Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

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

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 17 beta-Hydroxy-4,9-estradien-3-one (EC: 612-953-5)

Hazard Classes and CategoriesCarc. 2 (100%)

안전 데이터

HS 번호: 2937.29.9050

화학 및 산업

응용 분야

용도Gestagenic Testosterone (T155000) derivative. A steroid ligand for the cytosol androgen receptor (AR) of rat prostate.

상·하류 제품 정보

하류 제품

에스트라-4,9-디엔-3,17-디온

공급사91 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Zhuzhou Yaozhijie Chemical Co., LTD+66-955486952 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Shenzhen Monkono Technology Co.,Ltd+86-17063441314 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

화합물 노트

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