N-TRIFLUOROACETYLDOXORUBICINOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H30F3NO12
Molecular Weight	641.5432
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-TRIFLUOROACETYLDOXORUBICINOL

Structure Search

SMILES

COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O5)[C@@H](O)CO)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=TWMWXCYMYAQOTO-ROPNTKIDSA-N

InChI=1S/C29H30F3NO12/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-,16-,17-,22+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H30F3NO12
Molecular Weight	641.5432
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:22:34 GMT 2025` Edited by `admin` on `Mon Mar 31 22:22:34 GMT 2025`
Record UNII	LJW91E124V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-TRIFLUOROACETYLDOXORUBICINOL

Common Name

English

AD-92

Preferred Name

English

NSC-268711

Code

English

13-DIHYDRO-N-TRIFLUOROACETYLDOXORUBICIN

Common Name

English

5,12-NAPHTHACENEDIONE, 8-(1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-10-((2,3,6-TRIDEOXY-3-((2,2,2-TRIFLUOROACETYL)AMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, (8S,10S)-

Systematic Name

English

N-TRIFLUOROACETYLADRIAMYCINOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70985133