Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C44H67N5O4.H3O4P |
| Molecular Weight | 828.0291 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OP(O)(O)=O.[H][C@]12CC[C@@]3([H])[C@]4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)(C)C)N5N=CN=C5C6=CC=NC=C6)C1=CC[C@@]7(C)[C@H](C(O)=O)[C@](C)(CC[C@]27C)[C@H](C)C(C)C
InChI
InChIKey=OAKUEXTYOMFKTF-FQGZCCSZSA-N
InChI=1S/C44H67N5O4.H3O4P/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29;1-5(2,3)4/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51);(H3,1,2,3,4)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+;/m1./s1
| Molecular Formula | C44H67N5O4 |
| Molecular Weight | 730.0339 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H3O4P |
| Molecular Weight | 97.9952 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
MK-3118 is an orally active inhibitor of fungal β-(1,3)-glucan synthase patented by Merck Sharp & Dohme Corp for the treatment of fungal infections. MK-3118 demonstrated enhanced efficacy for most C. albicans and C. glabrata ER isolates relative to caspofungin. MK-3118 showed no or poor activity against Mucoromycotina and Fusarium spp. However, MK-3118 was highly active against Paecilomyces variotii and was the only compound displaying some activity against notoriously pan-resistant Scedosporium prolificans.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:01:06 UTC 2023
by
admin
on
Sat Dec 16 08:01:06 UTC 2023
|
| Record UNII |
76HJ8T68WO
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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1965291-14-8
Created by
admin on Sat Dec 16 08:01:06 UTC 2023 , Edited by admin on Sat Dec 16 08:01:06 UTC 2023
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76HJ8T68WO
Created by
admin on Sat Dec 16 08:01:06 UTC 2023 , Edited by admin on Sat Dec 16 08:01:06 UTC 2023
|
PRIMARY |
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