U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C59H86N2O19
Molecular Weight 1127.3161
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEPARTRICIN B

SMILES

COC(=O)C1C(O)CC2(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC(C(C)CCC(O)CC(=O)C3=CC=C(N)C=C3)C(C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(CC1O2)O[C@H]4O[C@@H](C)[C@H](O)[C@@H](N)[C@H]4O

InChI

InChIKey=GIDIUOCSTCGLRW-OUXUIHJTSA-N
InChI=1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(61)54(72)37(3)77-58)32-50-52(57(74)76-4)49(70)34-59(75,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(60)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,62-64,66-68,70,72-73,75H,19,24-34,60-61H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t35?,36?,37-,40?,41?,42?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58+,59?/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MEPARTRICIN B
MI  
Common Name English
MEPARTRICIN B [MI]
Common Name English
CANDICIDIN D, 40-DEMETHYL-3,7-DIDEOXO-3,7-DIHYDROXY-5-OXO-, METHYL ESTER, CYCLIC 15,19-HEMIACETAL
Common Name English
PARTRICIN B METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00872305
Created by admin on Sat Dec 16 01:15:10 GMT 2023 , Edited by admin on Sat Dec 16 01:15:10 GMT 2023
PRIMARY
ECHA (EC/EINECS)
263-585-3
Created by admin on Sat Dec 16 01:15:10 GMT 2023 , Edited by admin on Sat Dec 16 01:15:10 GMT 2023
PRIMARY
MERCK INDEX
m7184
Created by admin on Sat Dec 16 01:15:10 GMT 2023 , Edited by admin on Sat Dec 16 01:15:10 GMT 2023
PRIMARY Merck Index
PUBCHEM
76963508
Created by admin on Sat Dec 16 01:15:10 GMT 2023 , Edited by admin on Sat Dec 16 01:15:10 GMT 2023
PRIMARY
FDA UNII
21G4VMN6C9
Created by admin on Sat Dec 16 01:15:10 GMT 2023 , Edited by admin on Sat Dec 16 01:15:10 GMT 2023
PRIMARY
CAS
62534-69-4
Created by admin on Sat Dec 16 01:15:10 GMT 2023 , Edited by admin on Sat Dec 16 01:15:10 GMT 2023
PRIMARY