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기본 정보
- CAS
1404-15-5- 표준 SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O- InChIKey
KGTDRFCXGRULNK-JYOBTZKQSA-N- 분자식
- C39H49NO16
- 평균 분자량
- 787.812 g/mol
- 단동위원소 질량
- 787.30513449
이름 및 식별자
- 우선 이름
- Nogalamycin
- IUPAC
- Methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
- 영어명
- NOGALAMYCIN
- 분자식
- C39H49NO16
- 분자량
- 787.8
이름 및 동의어
U 15167U-15167nsc-70845noramycinAIDS031122NOGALAMYCINnogalomycinNogalamyicnNogalamycineNogalamycinum
데이터베이스 식별자
- CAS
1404-15-5- PubChem CID
- 5289019
- DTXSID
DTXSID20930779- ChEMBL
CHEMBL504459- ChEBI
CHEBI:44504- UNII
- L059DCD6IP
- EC Number
- 634-289-5
- Nikkaji
- J34.122C
물성
물리화학적 성질
- Melting point
- 195 · 195-196° (dec)
- alpha
- 25 · D25 +425° (c = 0.11 in CHCl3)
- Boiling point
- 658.61 °C · 658.61°C (rough estimate)
- Density
- 1.2095 · 1.2095 (rough estimate)
- refractive index
- 1.765 · 1.7650 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMF: Soluble; DMSO: Soluble; Ethanol: soluble; Methanol: Soluble
- form
- A solid
- pka
- 7.45 · 7.45 (60% ethanol)
- color
- Orange-red solid from MeOH
- biological source
- Streptomyces nogalater
- InChIKey
- KGTDRFCXGRULNK-UHFFFAOYSA-N
- SMILES
- COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 59 DCD6IP · L059DCD6IP
- UNSPSC Code
- 51111755 · 51111755
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H332-H350-H360
- Precautionary statements
- 201 · P201-P280-P308+P313
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 45 · 45-46-61-20/21/22
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- RA4550000
- Toxicity
- LD50 in mice (mg/kg): 11.75 i.v., 4.79 i.p. (Hadidian)
- risk_code
- 45-46-61-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H312-H332-H350-H360
- Hazard Classifications
- Acute Tox. 4 OralCarc. 1BRepr. 1B
- Precautionary statements
- P201-P280-P308+P313
화학 및 산업
응용 분야
UsesNogalamycin is an unusual anthracycline produced by Streptomyces nogalater var. nogalater, reported by researchers at Upjohn in 1965. Nogalamycin contains two saccharides. The neutral monosaccharide attaches to the D ring, similar to the aminoglycoside moieties of the doxorubicin class, while the second, basic saccharide attaches to the phenolic group on the A ring in the ortho position to form a unique family of hexacyclic anthracyclines. Nogalamycin is potent antibacterial and antitumor agent that interacts with DNA by intercalation.
UsesNogalamycin (cas# 1404-15-5) is a compound useful in organic synthesis.
공급사28 곳
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