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Details

Stereochemistry EPIMERIC
Molecular Formula C62H98N4O11S2
Molecular Weight 1139.592
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-27548547

SMILES

[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2C(=O)OCC5=CC=C(SSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C=C5)C(=O)C(N)=C(C)C4=O

InChI

InChIKey=LIHIIWJRSSLKKX-YCTALCSSSA-N
InChI=1S/C62H98N4O11S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-52(67)74-43-48(77-53(68)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)45-78-79-49-39-37-47(38-40-49)42-76-61(72)66-51-41-65-56-54(58(70)55(63)46(3)57(56)69)50(44-75-60(64)71)62(65,73-4)59(51)66/h37-40,48,50-51,59H,5-36,41-45,63H2,1-4H3,(H2,64,71)/t48?,50-,51+,59+,62-,66?/m1/s1

HIDE SMILES / InChI

Molecular Formula C62H98N4O11S2
Molecular Weight 1139.592
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:11:54 UTC 2023
Edited
by admin
on Sat Dec 16 14:11:54 UTC 2023
Record UNII
3I8JKL1CHB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-27548547
Code English
PROMITIL
Brand Name English
MITOMYCIN C LIPID-BASED PRODRUG (MLP)
Common Name English
MMC LIPID-BASED PRODRUG (MLP)
Common Name English
AZIRINO(2',3':3,4)PYRROLO(1,2-A)INDOLE-1(2H)-CARBOXYLIC ACID, 6-AMINO-8-(((AMINOCARBONYL)OXY)METHYL)-1A,4,7,8,8A,8B-HEXAHYDRO-8A-METHOXY-5-METHYL-4,7-DIOXO-, (4-((2,3-BIS((1-OXOOCTADECYL)OXY)PROPYL)DITHIO)PHENYL)METHYL ESTER, (1AS,8S,8AR,8BS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9941638
Created by admin on Sat Dec 16 14:11:55 UTC 2023 , Edited by admin on Sat Dec 16 14:11:55 UTC 2023
PRIMARY
CAS
303983-00-8
Created by admin on Sat Dec 16 14:11:55 UTC 2023 , Edited by admin on Sat Dec 16 14:11:55 UTC 2023
PRIMARY
DRUG BANK
DB15372
Created by admin on Sat Dec 16 14:11:55 UTC 2023 , Edited by admin on Sat Dec 16 14:11:55 UTC 2023
PRIMARY
NCI_THESAURUS
C103276
Created by admin on Sat Dec 16 14:11:55 UTC 2023 , Edited by admin on Sat Dec 16 14:11:55 UTC 2023
PRIMARY
FDA UNII
3I8JKL1CHB
Created by admin on Sat Dec 16 14:11:55 UTC 2023 , Edited by admin on Sat Dec 16 14:11:55 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG