VALRUBICIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H36F3NO13
Molecular Weight	723.6437
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VALRUBICIN

Structure Search

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)COC(=O)CCCC)O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O5

InChI

InChIKey=ZOCKGBMQLCSHFP-KQRAQHLDSA-N

InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H36F3NO13
Molecular Weight	723.6437
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:13:18 UTC 2023` Edited by `admin` on `Sat Dec 16 17:13:18 UTC 2023`
Record UNII	2C6NUM6878
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALRUBICIN

Official Name

English

VALRUBICIN [USP IMPURITY]

Common Name

English

VALSTAR

Brand Name

English

AD 32

Code

English

VALRUBICIN [USAN]

Common Name

English

VALRUBICIN [USP-RS]

Common Name

English

VALRUBICIN [ORANGE BOOK]

Common Name

English

VALRUBICIN [MI]

Common Name

English

Valrubicin [WHO-DD]

Common Name

English

VALRUBICIN [HSDB]

Common Name

English

VALRUBICIN [VANDF]

Common Name

English

(8S,10S)-8-GLYCOLOYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-10-((2,3,6-TRIDEOXY-3-(2,2,2-TRIFLUOROACETAMIDO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-5,12-NAPHTHACENEDIONE 8(SUP 2)-VALERATE

Common Name

English

valrubicin [INN]

Common Name

English

VALRUBICIN [USP MONOGRAPH]

Common Name

English

(2S-CIS)-2-(1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-((2,3,6-TRIDEOXY-3-((TRIFLUOROACETYL)AMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-2-NAPHTHACENYL)-2-OXOETHYL PENTANOATE

Common Name

English

VALRUBICIN [MART.]

Common Name

English

AD-32

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

82194

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

LIVERTOX

1018

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

WHO-VATC

QL01DB09

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

NCI_THESAURUS

C1594

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

WHO-ATC

L01DB09

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

Code System Code Type Description

FDA UNII

2C6NUM6878

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

RXCUI

31435

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

RxNorm

USAN

JJ-54

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

DRUG CENTRAL

2805

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

MESH

C016163

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

EVMPD

SUB05075MIG

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

DAILYMED

2C6NUM6878

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

RS_ITEM_NUM

1708730

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

ChEMBL

CHEMBL1096885

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

DRUG BANK

DB00385

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

MERCK INDEX

m11371

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

Merck Index

NCI_THESAURUS

C1340

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

CAS

56124-62-0

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

PUBCHEM

454216

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

EPA CompTox

DTXSID9046497

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

SMS_ID

100000084785

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

HSDB

7288

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

WIKIPEDIA

VALRUBICIN

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

INN

7750

Created by admin on Sat Dec 16 17:13:19 UTC 2023 , Edited by admin on Sat Dec 16 17:13:19 UTC 2023

PRIMARY

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ACTIVE MOIETY