[(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride

Modify Date: 2025-08-22 18:24:11

[(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride Structure
[(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride structure
 Common Name [(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride
CAS Number 39387-88-7 Molecular Weight 972.55100
Density N/A Boiling Point N/A
Molecular Formula C48H74ClNO17 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name [(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C48H74ClNO17
Molecular Weight 972.55100
Exact Mass 971.46500
PSA 313.29000
LogP 2.35320
InChIKey KGHPJSKTRHGBCY-YRDDEDERSA-N
SMILES COC(=O)C1C(O)CC(=O)CC(O)C(O)CCC(=O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C([NH3+])C2O)CC1O.[Cl-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EX4700000
CHEMICAL NAME :
Candidin, methyl ester, hydrochloride
CAS REGISTRY NUMBER :
39387-88-7
LAST UPDATED :
198909
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C48-H73-N-O17.Cl-H
MOLECULAR WEIGHT :
972.68

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 25,261,1972

 Synonyms

Amphotericin B,8,9-dideoxy-10-hydroxy-7-oxo-,methyl ester,hydrochloride
Candidine,methyl ester,hydrochloride
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Chemsrc provides CAS#:39387-88-7 MSDS, density, melting point, boiling point, structure, etc. Its name is [(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride>> amp version: [(2R,5R)-2-[[(6E,8E,10E,12E,14E,16E,18E)-4,22,24,28,29,34,36-heptahydroxy-23-methoxycarbonyl-2,3,5-trimethyl-26,32,38-trioxo-1-oxacyclooctatriaconta-6,8,10,12,14,16,18-heptaen-20-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]azanium,chloride

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