CAS 3870-07-3 Triamcinolone acetonide 21-acetate (HCID 15482000)

기본 정보

CAS: 3870-07-3
표준 SMILES: CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChIKey: VOBDXTSTTMAKHK-VHDCPBDGSA-N
분자식: C26H33FO7
평균 분자량: 476.5 g/mol
단동위원소 질량: 476.22103155

이름 및 식별자

우선 이름: Triamcinolone acetonide 21-acetate
IUPAC: [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
영어명: Triamcinolone acetonide 21-acetate
분자식: C26H33FO7
분자량: 476.54

이름 및 동의어

Triamcinolone acetonide acetate3870-07-3TRIAMCINOLONE ACETONIDE 21-ACETATE576QLL2I1ZDTXSID20959526EINECS 223-388-5TRIAMCINOLONE ACETONIDE 21-ACETATE [MI]TRIAMCINOLONE ACETONIDE ACETATE [WHO-DD]TRIAMCINOLONE ACETONIDE IMPURITY F [EP IMPURITY]PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATETRIAMCINOLONE ACETONIDE IMPURITY F (EP IMPURITY)

이름 더 보기

BNKY017-TA039-fluoro-11βThannad acetate20-dione 21-acetateTriamcinolone acetonTriamcinolone Impurity FTriamcinolone impurity ITriamcinolon Acetonide acetateTriamcinolone cinolone Impurity F

2-(4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno(2,1-a)phenanthren-6b-yl)-2-oxoethyl acetate2-(4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxoethyl acetateRefChem:899030DTXCID101768246PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11BETA,16ALPHA)-PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11BETA,16ALPHA,17,21-TETRAHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE, 21-ACETATETriamcinolone Acetonide EP Impurity F21-(Acetyloxy) Triamcinolone Acetonide

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 99.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 34
형식 전하: 0
복잡도: 1,030

물리화학적 성질

녹는점: 266 °C · 266 °C
끓는 점: 589.4 · 589.4±50.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간, 초음파처리), 메탄올(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 13.1 · 13.10±0.70(Predicted)
색상: 흰색에서 황백색까지
InChIKey: VOBDXTSTTMAKHK-AJGDGBNYNA-N
SMILES: C([C@@]12OC(C)(C)O[C@]1([H])C[C@@]1([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)(=O)COC(=O)C |&1:1,7,10,12,22,24,26,29,r|

화학적 성질

White Solid The IUPAC of Triamcinolone acetonide 21-acetate is (11β,16α)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationREACH registered substance: 9-fluoro-11β,21-dihydroxy-16α,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate (EC: 223-388-5)

Hazard Classes and CategoriesRepr. 2 (100%)

안전 데이터

HS 번호: 29147000
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도Triamcinolone acetonide 21-acetate is derivative of Triamcinolone Acetonide, a glucocorticoid, antiasthmatic (inhalant).It also can be used for eczema and dermatitis and is currently a long-acting glucocorticoid drug widely applied in the dermatology clinical application of China.

상·하류 제품 정보

상류 원료

공급사100 곳

HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]

山东雨禾医药科技有限公司15263077727

湖北金梭生物科技有限公司00123456789 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

湖北研科时代科技有限公司15780669880 · [email protected]

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Triamcinolone acetonide 21-acetate