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옥시메톨론

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

HCID 9902
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
434-07-1
표준 SMILES
C[C@]12CC(=CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChIKey
ICMWWNHDUZJFDW-IYRCEVNGSA-N
분자식
C21H32O3
평균 분자량
332.5 g/mol
단동위원소 질량
332.23514488

이름 및 식별자

우선 이름
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
현지명
옥시메톨론
영어명
Oxymetholone
분자식
C21H32O3
분자량
332.48

이름 및 동의어

SCHEMBL145160(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-oneCPD000058877PD00293317ss-Hydroxy-2-hydroxymethylen-17a-methyl-5a-androstan-3-onAndrostan-3-one, 17-hydroxy-2-(hydroxymethylene)-17methyl-, (5.alpha.,17.beta.)옥시메톨론OXYCLOZANIDEAnadrolAnapolonOximetolonaOxyMetholon
이름 더 보기
oxymethaloneOxyMetholone (Anadrol)anapalonMethabolANASTERONE

데이터베이스 식별자

CAS
434-07-1
PubChem CID
9902

물성

구조 계산 물성

XLogP
4.4
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
24
형식 전하
0
복잡도
596

물리화학적 성질

녹는점
172 · 172-180°C
끓는 점
409.59 °C · 409.59°C (rough estimate)
밀도
1.0834 · 1.0834 (rough estimate)
굴절률
38 ° · 38 ° (C=1, CHCl3)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: ≤0.5 mg/mL
산도 계수 (pKa)
5.28 · 5.28±0.70(Predicted)
물리적 상태
고체
색상
흰색에서 밝은 노란색
수용성
23 · 23&C에서 <0.1g/100mL
Merck
6967 · 6967
Henry's Law Constant
6.6 · 6.6×103 mol/(m3Pa) at 25℃, HSDB (2015)
안정성
안정성 빛에 민감할 수 있습니다. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
주요 응용
제약
InChI
1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16,17-,19-,20-,21-/m0/s1
InChIKey
ICMWWNHDUZJFDW-CCTJMHFWSA-N
SMILES
[H][C@@]12CC[C@]3([H])C(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)C\C(=C\O)C(=O)C2

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
rtecs
BV8060000
독성
TDLo orl-hmn: 46 mg/kg/14W-I:LIV JAMAAP 240,243,78
HS 번호
29372900
risk_code
40-63
hazard_code
T,Xn
safety_code
53-22-26-36/37/39-36
Hazard Classifications
Carc. 2Repr. 2
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
434-07-1(Hazardous Substances Data)

화학 및 산업

응용 분야 · 3건

개요Oxymetholone is a synthetic, orally active anabolic-androgenic steroid (AAS) and 17α-methylated derivative of dihydrotestosterone (DHT). It is mainly used for the treatment of osteroporosis and anemia (low red blood cell count). It can also stimulate the muscle growth in malnourished or underdeveloped patients. It also has the potential to treat the HIV wasting syndrome. Oxymetholone can also lead to an even buildup in strength, which is its secondary characteristics, making it an excellent steroid to be coupled with other anabolic steroids to yield synergetic effect.

용도Oxymetholone is used in treatment of myelofibrosis and myelosuppression. This drug can provoke bone marrow cells and rise the blood cells in the peripheral blood vessels. It has been approved by the US Food and Drug Administration for the treatment of anemia caused by deficient red cell production. It is effective in catabolic states, replacement of male sex steroids in men who have androgen deficiency, and in eugonadal male and female patients with acquired immunodeficiency syndrome-associated wasting.

일반 설명Oxymetholone is an odorless white to creamy white crystalline powder. It is approved for the treatment of various anemias.

상·하류 제품 정보

상류 원료

HecogeninTigogenin

공급사100 곳

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화합물 노트

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NIST
Oxymetholone(434-07-1)
EPA
Oxymetholone (434-07-1)
화학적 성질 · 1건

Oxymetholone is an odorless white to pale yellow crystalline solid or powder. Insoluble in water, easily soluble in chloroform, soluble in dioxane, vegetable oil, slightly soluble in ethanol and ether. It is sensitive to light (Akron 2009). It is structurally related to the male hormone testosterone (IARC 1977, NTP 1999).

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추가 설명 · 1건

정의ChEBI: Oxymetholone is a 3-oxo-5alpha- steroid that is 4,5alpha-dihydrotestosterone which is substituted by a hydroxymethylidene group at position 2 and by a methyl group at the 17alpha position. A synthetic androgen, it was mainly used for the treatment of anaemias until being replaced by treatments with fewer side effects. It has a role as an anabolic agent, an androgen and an anti-anaemic agent. It is a 17beta-hydroxy steroid, an enone, a tertiary alcohol, an enol, an anabolic androgenic steroid and a 3-oxo-5alpha-steroid.