ALVESPIMYCIN

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48N4O8
Molecular Weight	616.7455
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALVESPIMYCIN

Structure Search

SMILES

CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=KUFRQPKVAWMTJO-LMZWQJSESA-N

InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H48N4O8
Molecular Weight	616.7455
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 `Fri Dec 15 16:25:37 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:37 UTC 2023`
Record UNII	001L2FE0M3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALVESPIMYCIN

Official Name

English

Alvespimycin [WHO-DD]

Common Name

English

alvespimycin [INN]

Common Name

English

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((2-(DIMETHYLAMINO)ETHYL)AMINO)-13-HYDROXY-8,14-DIMETHOXY-4,10,12,16-TETRAMETHYL-3,20,22-TRIOXO-2-AZABICYCLO(16.3.1)DOCOSA-1(21),4,6,10,18-PENTAEN-9-YL CARBAMATE

Common Name

English

GELDANAMYCIN, 17-DEMETHOXY-17-((2-(DIMETHYLAMINO)ETHYL)AMINO)-

Common Name

English

NSC-707545

Code

English

DMAG

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2516

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C38142

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

INN

8811

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

PUBCHEM

5288674

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

FDA UNII

001L2FE0M3

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

NSC

707545

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID00963646

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

MESH

C448659

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

CHEBI

65324

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

WIKIPEDIA

17-Dimethylaminoethylamino-17-demethoxygeldanamycin

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

SMS_ID

100000127463

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

DRUG BANK

DB12442

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

CAS

467214-20-6

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

ChEMBL

CHEMBL383824

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

EVMPD

SUB33529

Created by admin on Fri Dec 15 16:25:37 UTC 2023 , Edited by admin on Fri Dec 15 16:25:37 UTC 2023

PRIMARY

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ACTIVE MOIETY