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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28F3NO12
Molecular Weight 639.5273
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-TRIFLUOROACETYLADRIAMYCIN

SMILES

[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(C=CC=C4OC)C3=O)C(O)=C12)C(=O)CO)O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O5

InChI

InChIKey=RQIOYWADAKTIJC-XUKKXQNXSA-N
InChI=1S/C29H28F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15,17,22,34,36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10-,13-,15-,17-,22+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H28F3NO12
Molecular Weight 639.5273
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Evaluation of anti-SIV potential of anti-neoplastic anthracyclines.
1992
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:17:11 UTC 2023
Edited
by admin
on Fri Dec 15 16:17:11 UTC 2023
Record UNII
ITA96UBK4T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-TRIFLUOROACETYLADRIAMYCIN
Common Name English
AD-41
Code English
N-TRIFLUOROACETYLDOXORUBICIN
Common Name English
NSC-283464
Code English
5,12-NAPHTHACENEDIONE, 7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-10-((2,3,6-TRIDEOXY-3-((2,2,2-TRIFLUOROACETYL)AMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, (8S,10S)-
Common Name English
Code System Code Type Description
NSC
283464
Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID10949158
Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023
PRIMARY
FDA UNII
ITA96UBK4T
Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023
PRIMARY
PUBCHEM
73551
Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023
PRIMARY
CAS
26295-56-7
Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023
PRIMARY
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