무염소테트라사이클린염화물

Anhydrochlortetracycline

HCID 54693278CAS 4497-08-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1c2c(c(O)c3c(O)ccc(Cl)c13)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]1C2
InChIKey
NICZYMKKWKYGHT-BAQLRCJTSA-N
분자식
C22H21ClN2O7
평균 분자량
460.9 g/mol

개요

Anhydrochlortetracycline is a member of tetracyclines.

이름 및 식별자

우선 이름
Anhydrochlortetracycline
IUPAC
(4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
현지명
무염소테트라사이클린염화물
영어명
Anhydrochlortetracycline hydrochloride
분자식
C22H21ClN2O7
분자량
460.86

이름 및 동의어

AnhydrochlortetracyclineAnhydroaureomycin4497-08-9MFG32T0I30Anhydrochlortetracycline HClUNII-MFG32T0I30(4S,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide(4S,4AS,12AS)-7-CHLORO-4-(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,11,12A-HEXAHYDROTETRACENE-2-CARBOXAMIDE2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4S,4aS,12aS)-Anhydro-7-chlorotetracyclineAUREOMYCIN, ANHYDRO-ANHYDROCHLORTETRACYLINE
이름 더 보기
무염소테트라사이클린염화물ACTCASD5CMD1RCMH11LVNC4acta1bMGC110101Zinc02512531Anhydroaureomycin.Tetracycline impurity 12
Chlortetracycline EP Impurity LSCHEMBL10216301CHEBI:81648DTXSID50912301WLYIHXRYRNHXOE-BAQLRCJTSA-NCHLORTETRACYCLINE, ANHYDRO-(4S,4AS,12AS)-7-CHLORO-4-(DIMETHYLAMINO)-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-1,4,4A,5,12,12A-HEXAHYDROTETRACENE-2-CARBOXAMIDE5A,6-ANHYDRO-7-CHLORTETRACYCLINE

데이터베이스 식별자

CAS
4497-08-9
PubChem CID
54693278
DTXSID
DTXSID50912301
ChEBI
CHEBI:81648
UNII
MFG32T0I30
Nikkaji
J1.707.435K、J438.986G

물성

구조 계산 물성

XLogP
3
극성 표면적
161 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
8
회전 가능 결합 수
2
무거운 원자 수
32

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

물리화학적 성질

녹는점
250 °C · 250 °C
끓는 점
709.3 · 709.3±60.0 °C(Predicted)
밀도
1.67 · 1.67±0.1 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
완충 수용액

안전 및 규제

유해성 정보

Regulatory Information · 1건

2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4S,4aS,12aS)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

risk_code
63-36
hazard_code
Xn
safety_code
36/37/39-26

화학 및 산업

응용 분야 · 1건

용도Anhydrochlortetracycline is a degradation product of chlortetracycline formed by acid-catalysed isomerisation of the dimethylamino group at C4. Anhydrochlortetracycline exhibits little antibiotic activity but its abundance is indicative of poor storage and handling of chlortetracycline.

공급사9 곳

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