기본 정보
- CAS
1045-69-8- 표준 SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
DJPZSBANTAQNFN-PXQJOHHUSA-N- 분자식
- C21H30O3
- 평균 분자량
- 330.5 g/mol
- 단동위원소 질량
- 330.21949482
개요
Testosterone acetate is an androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
이름 및 식별자
- 우선 이름
- Testosterone, acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- 영어명
- Testosterone acetate
- 분자식
- C21H30O3
- 분자량
- 330.46
이름 및 동의어
Testosterone acetate1045-69-817beta-Acetoxy-4-androsten-3-one3-Oxoandrost-4-en-17beta-yl acetate17beta-Hydroxyandrost-4-en-3-one acetateTestosterone, acetate[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate5652105Y6SCHEBI:1652417beta-hydroxyandrost-4-en-3-one, 17-acetate4-Androsten-17-ol-3-one acetateNSC-523836
이름 더 보기
skf5647SKF 5647Test AceNSC523836androtestaNSC 523836
((8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-17-yl) acetateRefChem:896634213-876-6Testosterone 17-acetateDeposteronAmolisinFarmatestAceto-sterandryl
데이터베이스 식별자
- CAS
1045-69-8- PubChem CID
- 92145
- DTXSID
DTXSID80909007- ChEMBL
CHEMBL488762- ChEBI
CHEBI:16524- UNII
- 5652105Y6S
- EC Number
- 213-876-6
- Nikkaji
- J38.390B
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 606
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 139 · 139-141 °C
- 끓는 점
- 427.89 °C · 427.89°C (rough estimate)
- 밀도
- 1.0234 · 1.0234 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 인화점
- 2 ℃ · 2℃
- 저장 조건
- -20 °C · Controlled Substance, -20°C Freezer
- 용해도
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
- 물리적 상태
- 결정성 고체
- 수용성
- 2.35 mg/L · 2.35mg/L(25℃)
- Merck
- 13 · 13,9255
- InChI
- InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/s3
- InChIKey
- DJPZSBANTAQNFN-PXQJOHHUSA-N
- SMILES
- [C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C |&1:0,4,6,9,11,21,r|
- NIST
- -4 · Androst-4-en-3-one, 17-(acetyloxy)-, (17«beta»)-(1045-69-8)
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- XA3061500
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 45-22-63-36-20/21/22-11
- hazard_code
- T,Xn,F
- safety_code
- 53-22-26-36-36/37-16
화학 및 산업
응용 분야
개요Testosterone acetate is an analytical reference standard categorized as an anabolic androgenic steroid. It is an ester of the naturally occurring androgen, testosterone. Testosterone acetate is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.
용도Testosterone Acetate is a Controlled substance that is less popular due to Acetate solution, which is aqueous solution, instead of oil solution as other esterified versions of testosterone that is offering much longer half life. It does not have any medical uses when it comes with Acetate ester. However, taken in consideration that it works in the same way as any other esterified testosterone, it can be used for the same purposes as the esterified testosterones.
일반 설명Testosterone acetate is an androgen ester and an intermediate in the synthesis of testosterone from progesterone, isolated from microorganisms.
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하류 제품
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추가 설명
정의ChEBI: Testosterone acetate is an androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, an androstanoid and a 3-oxo-Delta(4) steroid. It is functionally related to a testosterone.
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