25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol

HCID 129052

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Basic information

CAS: 105539-27-3
Standard SMILES: CC(CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)c1ccc([N+](=O)[O-])c2nonc12
InChIKey: RMGLSQAGXRZCPZ-OVHOIDCTSA-N
Molecular formula: C33H48N4O4
Average molar mass: 564.8 g/mol
Monoisotopic mass: 564.36755603

Names & identifiers

Preferred name: 25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
IUPAC: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
English name: 25-((7-chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol
Molecular formula: C33H48N4O4
Molecular weight: 564.76

Names & synonyms

25-Nbd-mnc105539-27-325-Nbd-methylamino-27-norcholesterol25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterolRefChem:89862(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol25-[N-[(7-nitro-2-1,3-benzoxadiazol-4-yl)methyl]amino]-27-norcholesterol27-Norcholest-5-en-3-ol, 25-(methyl(7-nitro-4-benzofurazanyl)amino)-, (3beta)-25-NBD Cholesterol(3β)-25-[Methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-27-norcholest-5-en-3-ol27-Norcholest-5-en-3-ol, 25-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-, (3β)-25-NBD CHOLESTEROL

Database identifiers

CAS: 105539-27-3
PubChem CID: 129052

Properties

Computed structural properties

XLogP: 8.2
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 41
Formal charge: 0
Complexity: 1,000

Physicochemical properties

storage temp.: -20 °C · -20°C
form: powder
color: Orange to reddish brown
InChIKey: RMGLSQAGXRZCPZ-OVHOIDCTSA-N
SMILES: [N+](=O)([O-])c1c2n[o]nc2c(cc1)N(C(CCC[C@H]([C@H]3[C@@]4([C@H]([C@H]5[C@@H]([C@]6(CC[C@@H](CC6=CC5)O)C)CC4)CC3)C)C)C)C
UNSPSC Code: 12352211 · 12352211
NACRES: 25 · NA.25
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H315-H319-H331-H336-H351-H361d-H372
Precautionary statements: 202 · P202-P301+P312-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313
target organs: Liver,Kidney, Respiratory system
WGK Germany: 3 · WGK 3
Storage Class: 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk: WGK 3
Signal word: Danger
Symbol(GHS): GHS06,GHS08
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
target organs: Liver,Kidney, Respiratory system
Hazard statements: H302-H315-H319-H331-H336-H351-H361d-H372
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1 OralSTOT SE 3
Precautionary statements: P202-P301+P312-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313

Chemistry & industry

Applications · 1 item

Uses25-NBD Cholesterol is suitable:as a cholesterol source in De Man, Rogosa and Sharpe (MRS) broth used for qualitative cholesterol assimilation studyfor use in the outer lipid coating step during the preparation of fluorescently labelled lipid-coated calcium phosphate (LCP)- gemcitabine monophosphate (GMP)for liposome preparation

Suppliers7 total

浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

Aladdin Scientific[email protected]

Creative Enzymes1-516-855-7709 · [email protected]

成都华纯科技有限公司400-1166-196 15982826727 · [email protected]

BOC Sciences+1-631-485-4226 · [email protected]

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