기본 정보
- CAS
481-30-1- 표준 SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O- InChIKey
MUMGGOZAMZWBJJ-KZYORJDKSA-N- 분자식
- C19H28O2
- 평균 분자량
- 288.4 g/mol
- 단동위원소 질량
- 288.20893013
개요
Epitestosterone is an androstanoid that is the C-17 epimer of testosterone. It has a role as an androgen antagonist and a human metabolite. It is a 17alpha-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid.
이름 및 식별자
- 우선 이름
- Epitestosterone
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 영어명
- Epitestosterone
- 분자식
- C19H28O2
- 분자량
- 288.42
이름 및 동의어
Epitestosterone481-30-1Isotestosteronecis-Testosterone17-Epitestosterone17alpha-Hydroxyandrost-4-en-3-one17-alpha-Testosterone17alpha-Testosterone17alpha-cis-TestosteroneDTXSID802232917-alpha-Hydroxyandrost-4-en-3-one(17-alpha)-17-Hydroxyandrost-4-en-3-one
이름 더 보기
epi-Testosterone (CRM)17ALPHA-HYDROXY-4-ANDROSTEN-3-ONEEpitesterone17a-testosteroneTestosterone, cis-
NSC-26499(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneAndrost-4-en-3-one, 17-hydroxy-, (17alpha)-DTXCID00232948L726977ZCHEBI:4253417 alpha Testosterone(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
데이터베이스 식별자
- CAS
481-30-1- PubChem CID
- 10204
- DTXSID
DTXSID8022329- ChEMBL
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 508
실험 및 물리화학적 성질
Chemical ClassesHormone
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Collision Cross Section
194.13 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
170.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
172.45 Ų [M+H]+
물리화학적 성질
- 녹는점
- 218 · 218-220C
- 끓는 점
- 432.9 · 432.9±45.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 인화점
- 2 ℃ · 2℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P316, P301+P317, P318, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 1 (33.3%)
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
Epitestosterone
Hormone
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
안전 데이터
- wgk
- 3
- rtecs
- BV8395600
- ridadr
- UN 1648 3 / PGII
- HS 번호
- 2937290000
- risk_code
- 68-36-20/21/22-11
- hazard_code
- Xn,F
- safety_code
- 22-36-36/37-16
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Metabolism/MetabolitesEpitestosterone has known human metabolites that include Epitestosterone O-glucuronide.
Tissue LocationsAdrenal Gland
Cellular LocationsExtracellular
응용 분야
용도Testosterone and epitestosterone are endogenous steroids that differ in the configuration of the hydroxyl-bearing carbon at C-17. epitestosterone is largely unclear.
일반 설명Epitestosterone is a stereoisomer of the hormone testosterone. Epitestosterone is often used to illicitly mask high testosterone levels in athletic drug tests. This Certified Snap-N-Spike Solution is applicable for use in LC/MS or GC/MS applications for sports testing, urine drug testing or forensic analysis.
상·하류 제품 정보
하류 제품
공급사34 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
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