기본 정보
- CAS
50-22-6- 표준 SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO- InChIKey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N- 분자식
- C21H30O4
- 평균 분자량
- 346.5 g/mol
- 단동위원소 질량
- 346.21440943
이름 및 식별자
- 우선 이름
- Corticosterone
- IUPAC
- (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 영어명
- CORTICOSTERONE
- 분자식
- C21H30O4
- 분자량
- 346.47
이름 및 동의어
CORTICOSTERONE50-22-617-DeoxycortisolReichstein's substance HKendall's compound BCorticosteron11beta,21-Dihydroxyprogesterone(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione11Beta,21-dihydroxypregn-4-ene-3,20-dioneNSC-970511beta,21-Dihydroxy-4-pregnene-3,20-dione4-Pregnene-11beta,21-diol-3,20-dione
이름 더 보기
Compound B21-Dihydroxyprogesterone11,21-Dihydroxypregn-4-ene-3,20-dionecompoundb11β,21-DihAzlocillineKENDALL'S 'B'
DTXSID6022474CHEBI:16827W980KJ009P(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneDTXCID702474(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-oneRefChem:579253200-019-6
데이터베이스 식별자
- CAS
50-22-6- PubChem CID
- 5753
- DTXSID
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 638
실험 및 물리화학적 성질
LogP1.94
Solubility0.199 mg/mL
Melting Point179 °C
Physical DescriptionSolid
Kovats Retention Index3341.1
Collision Cross Section
212.4 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6022474]
186.8 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；211.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；186.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；208.4 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
186.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；186.46 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
186.8 Ų [M-H]-；212.2 Ų [M+Na]+；187 Ų [M+H]+；209 Ų [M+K]+
물리화학적 성질
- 녹는점
- 179 · 179-183 °C(lit.)
- 끓는 점
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
안전 데이터
- wgk
- 3
- rtecs
- GM7650000
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- 독성
- An adrenocortical steroid with modest glucocorticoid and mineralocorticoid activity. It is the primary glucocorticoid in the rat.
- HS 번호
- 29372900
- risk_code
- 43-40-39/23/24/25-23/24/25-11
- hazard_code
- Xi,N,Xn,T,F
- safety_code
- 36-22-45-36/37-16
- 기존화학 물질
- KE-10858
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Tissue LocationsAdipose Tissue；Adrenal Cortex；Adrenal Gland；Brain；Epidermis；Fibroblasts；Intestine；Kidney；Liver；Neuron；Ovary；Placenta；Platelet；Spleen；Testis
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane；Mitochondria
Metabolite Pathways
11-beta-hydroxylase deficiency (CYP11B1)；17-alpha-hydroxylase deficiency (CYP17)；21-hydroxylase deficiency (CYP21)；3-Beta-Hydroxysteroid Dehydrogenase Deficiency；Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia due to 21-hydroxylase Deficiency；Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia due to 17 Alpha-hydroxylase Deficiency；Apparent mineralocorticoid excess syndrome；Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH；Corticosterone methyl oxidase I deficiency (CMO I)；Corticosterone methyl oxidase II deficiency - CMO II；Total 11 pathways, visit the HMDB page for details
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
개요Corticosterone is a steroid hormone produced in the cortex of the adrenal glands that binds to both glucocorticoid and mineralocorticoid receptors. It is produced in response to ACTH (corticotropic hormone) and is the precursor to aldosterone synthesis. Since the production of glucocorticoids is increased by stress, it is often used as a biomarker of stress. Plasma corticosterone levels have a circadian variation and corticosterone may be important in the regulation of the sleep-wake cycle.
용도Corticosterone: HBC complex has been used: in the intravenous and intraperitoneal administration of corticosterone to rats to test its effect on glucocorticoid and mineralocorticoid activity to induce acute stress in mice in Pulsatile treatment in mice to test its effect on clock gene period 1 transcription
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