Valnemulin Hydrochloride

HCID 60195218CAS 133868-46-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl
InChIKey
MFBPRQKHDIVLOJ-AFFLPQGKSA-N
분자식
C31H53ClN2O5S
평균 분자량
601.3 g/mol
단동위원소 질량
600.33637148

개요

See also: Valnemulin (has active moiety).

이름 및 식별자

우선 이름
Valnemulin Hydrochloride
IUPAC
[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride
영어명
VALNEMULIN HYDROCHLORIDE
분자식
C31H52N2O5S.ClH
분자량
601.28

이름 및 동의어

Valnemulin hydrochloride133868-46-9UNII-W1GDP58BNQW1GDP58BNQDTXSID30158407RefChem:56296DTXCID8080898((2-((R)-2-Amino-3-methylbutyramido)-1,1-dimethylethyl)thio)acetic Acid, 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3ah-cyclopentacycloocten-1(4H)-one HydrochlorideValnemulin HClEconorValnemulin hydrochloride [MI]MFCD08458958
이름 더 보기
EtodoiacValneMulin hydVALNEMULIN HYDROCHValnemulin HydrochloridVonimorin hydrochloride
((2-((R)-2-Amino-3-methylbutyramido)-1,1-dimethylethyl)thio)acetic acid, 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3ah- cyclopentacycloocten-1(4H)-one hydrochloride[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochlorideC31H53ClN2O5SValnemulin hydrochloride; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopenta[8]annulen-8-yl [[2-[[(2R)-2-amino-3-methylbutanoyl]amino]-1,1-dimethylethyl]sulfanyl]acetate hydrochlorideValnemulin HydroclorideValnemulin hydrochloride CRSorb1222743SCHEMBL1457012

데이터베이스 식별자

CAS
133868-46-9
PubChem CID
60195218
DTXSID
DTXSID30158407
ChEMBL
CHEMBL4591422
UNII
W1GDP58BNQ
EC Number
685-606-9

물성

구조 계산 물성

극성 표면적
144 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
40

물리화학적 성질

녹는점
140 · 140-143C
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도
DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
Solid
색상
흰색에서 황백색까지
Merck
14 · 14,9911

화학적 성질

White to Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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
HS 번호
2941.90.5000
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Valnemulin hydrochloride is the salt prepared from valnemulin taking advantage of the basic amino group which protonates and readily forms the salt in hydrochloric acid solutions. The hydrochloride is the preferred formulation for pharmaceutical applications. Valnemulin is a broad spectrum antibiotic used to control gastrointestinal infections in animals, and shows no cross resistance to other antibiotic classes. Like all the pleuromutilins, valnemulin inhibits protein synthesis by binding to domain V of 23S RNA.

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

연결된 노트

불러오는 중…