Nebularine

HCID 68368
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Basic information

CAS
550-33-4
Standard SMILES
OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O
InChIKey
MRWXACSTFXYYMV-FDDDBJFASA-N
Molecular formula
C10H12N4O4
Average molar mass
252.23 g/mol
Monoisotopic mass
252.08585486

Overview

Nebularine is a purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. It has a role as a fungal metabolite. It is a purines D-ribonucleoside and a purine ribonucleoside. It is functionally related to a beta-D-ribose.

Names & identifiers

Preferred name
Nebularine
IUPAC
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol

Names & synonyms

Nebularine550-33-4Purine ribosideN-D-RibosylpurinePurine ribonucleoside9-beta-D-Ribofuranosyl-9H-purine9-(beta-D-ribofuranosyl)-9H-purineB8B604PS4P9-(beta-D-Ribofuranosyl)purineDTXSID701015580NSC-65423purine-1-D-ribofuranoside
Show more names
CHEBI:18255(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diolRefChem:389245CHEBI:26399DTXCID701473831208-981-9Purine nucleoside(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(9H-purin-9-yl)tetrahydrofuran-3,4-diol

Database identifiers

CAS
550-33-4
PubChem CID
68368
DTXSID
DTXSID701015580
ChEMBL
CHEMBL1399702
ChEBI
CHEBI:18255
UNII
B8B604PS4P
EC Number
208-981-9
Nikkaji
J1.609H

Properties

Computed structural propertiesFilling in

XLogP
-0.7
Topological polar surface area
114 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
18

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information9H-Purine, 9-.beta.-D-ribofuranosyl-: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Substances that inhibit the growth or reproduction of BACTERIA.

Suppliers61 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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