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Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
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  2. /화합물

클린다마이신 인산염

L-threo-alpha-D-galacto-Octopyranoside,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate), (2S-trans)-

HCID 358642
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
24729-96-2
표준 SMILES
CCC[C@@H]1C[C@@H](C(=O)NC(C(C)Cl)C2OC(SC)C(OP(=O)(O)O)C(O)C2O)N(C)C1
InChIKey
UFUVLHLTWXBHGZ-TVRZWJSOSA-N
분자식
C18H34ClN2O8PS
평균 분자량
505 g/mol
단동위원소 질량
504.1462019

이름 및 식별자

우선 이름
L-threo-alpha-D-galacto-Octopyranoside,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate), (2S-trans)-
IUPAC
[6-[2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
현지명
클린다마이신 인산염
영어명
Clindamycin phosphate
분자식
C18H34ClN2O8PS
분자량
504.96

이름 및 동의어

MFCD11982855L-threo-.alpha.-D-galacto-Octopyranoside,7,8-trideoxy-6-[[(1-methyl-4-propyl-2- pyrrolidinyl)carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate), (2S-trans)-클린다마이신인산염클린다마이신인산염(CLINDAMYCINPHOSPHATE)Clindamycine phosphateClindets7(S)-CHLORO-7-DEOXYLINCOMYCINClindamycin Phosphate ImpurityMethyl 7-chloro-6,7,8-trideoxy-6-[[[(2S)-1-methyl-4β-propyl-2-pyrrolidinyl]carbonyl]amino]-2-O-phosphono-1-thio-L-threo-α-D-galacto-octopyranosideMethyl 7-chloro-6,7,8-trideoxy-6-trans-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-α-D-galacto-octopyranoside 2-(dihydrogen phosphate)Methyl7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside2-(dihydrogenphosphate)Methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S)-1-methyl-4β-propyl-2α-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside 2-dihydrogen phosphate
이름 더 보기
methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-l-2-pyrrolidinecarboxamido)-1-thio-l-threo-alpha-d-galacto-octopyranoside 2-(dihydrogen phosphate)

물성

구조 계산 물성

XLogP
-1.2
극성 표면적
174 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
10
회전 가능 결합 수
9
무거운 원자 수
31
형식 전하
0
복잡도
658

물리화학적 성질

녹는점
114 °C · 114 °C
끓는 점
159 °C · 159°C
밀도
1.41 · 1.41±0.1 g/cm3(Predicted)
굴절률
122 ° · 122 ° (C=1, H2O)
저장 조건
2 · Sealed in dry,2-8°C
용해도
25 °C에서 · DMSO: 25°C에서 용해성 224mg/mL
물리적 상태
고체
산도 계수 (pKa)
0.964 · pKa 0.964±0.06 (H2O t=21) (Uncertain);6.06 ±0.06 (I=0.008)(H2O t=21) (Uncertain)
색상
하얀색
수용성
물에 자유롭게 용해됨
Merck
14 · 14,2356
안정성
안정적이지만 시원하게 보관하세요. 강력한 산화제, 글루콘산칼슘, 바르비투르산염, 황산마그네슘, 페니토인, B군 나트륨 비타민과 호환되지 않습니다.
InChIKey
UFUVLHLTWXBHGZ-YFBDLMQENA-N
SMILES
[C@]([H])([C@]1([H])[C@@H]([C@H](O)[C@@H](OP(O)(O)=O)[C@@H](SC)O1)O)([C@@H](Cl)C)NC([C@H]1N(C[C@H](CCC)C1)C)=O |&1:0,2,4,5,7,13,18,23,26,r|

화학적 성질

solid or colorless solution with characteristic alcohol odor.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
rtecs
GF2625000
HS 번호
29419000
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
36-26
기존화학 물질
KE-23682
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Lact.Skin Sens. 1
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명Clindamycin phosphate (Cleocin Phosphate) is the 2-phosphateester of clindamycin. It exists as a zwitterionic structurethat is very soluble in water. It is intended for parenteral(intravenous or intramuscular) administration for the treatmentof serious infections and instances when oral administrationis not feasible. Solutions of clindamycin phosphateare stable at room temperature for 16 days and for up to 32days when refrigerated.

제조 방법 · 1건

Preparation of Clindamycin Phosphate: a solution of 808 mg of the phosphorylated ester in 6 ml of pyridine and 16 ml of acetic acid is stirred at ambient temperature while s5 mg of zinc is rapidly added. The mixture is filtered after one hour and evapo rated to a residue which is heated with stirring at 50°C. for 2 hours with a solvent mixture of 2 ml of acetic acid, and 4 ml of 0.5N sulfuric acid. The mixture is cooled and filtered followed by evaporation of the filtrate in vacuo to a residue, which is chromatographed on a suitable ion-exchange resin, in the acid form, and eluted with 2% ammonium hydroxide. The desired product is obtained as ammonium salt by evaporation of the product fractions. (dec. 212°C)

상·하류 제품 정보

상류 원료

ClindamycinClindamycin hydrochlorideLincomycin hydrochloride

공급사100 곳

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梯希爱(上海)化成工业发展有限公司

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0건
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CAS
24729-96-2
PubChem CID
358642
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