RETASPIMYCIN HYDROCHLORIDE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H45N3O8.ClH
Molecular Weight	624.165
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RETASPIMYCIN HYDROCHLORIDE

Structure Search

SMILES

Cl.CO[C@H]1C[C@H](C)CC2=C(O)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)=CC(O)=C2NCC=C

InChI

InChIKey=OIRUWDYJGMHDHJ-AFXVCOSJSA-N

InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

RETASPIMYCIN HYDROCHLORIDE

Official Name

English

Retaspimycin hydrochloride [WHO-DD]

Common Name

English

IPI-504 HYDROCHLORIDE

Code

English

RETASPIMYCIN HYDROCHLORIDE [USAN]

Common Name

English

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-TRIHYDROXY-8,14-DIMETHOXY-4,10,12,16- TETRAMETHYL-3-OXO-19-(PROP-2-ENYLAMINO)-2-AZABICYCLO(16.3.1)DOCOSA- 1(21),4,6,10,18(22),19-HEXEN-9-YL CARBAMATE HYDROCHLORIDE

Common Name

English

RETASPIMYCIN HYDROCHLORIDE [MI]

Common Name

English

RETASPIMYCIN HCL

Common Name

English

GELDANAMYCIN, 18,21-DIDEHYDRO-17-DEMETHOXY-18,21-DIDEOXO-18,21-DIHYDROXY-17-(2- PROPENYLAMINO)-, MONOHYDROCHLORIDE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

260608

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

NCI_THESAURUS

C2516

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C48401

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

PRIMARY

SMS_ID

100000136582

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

PRIMARY

CAS

857402-63-2

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

PRIMARY

DRUG BANK

DBSALT001989

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

PRIMARY

ChEMBL

CHEMBL1184904

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

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EVMPD

SUB74828

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

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FDA UNII

928Q33Q049

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

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MESH

C112765

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

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MERCK INDEX

m9552

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

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Merck Index

PUBCHEM

11685945

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

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USAN

TT-108

Created by admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023

PRIMARY

ACTIVE MOIETY


					BZF2ZM0I5Z

SUBSTANCE RECORD


					928Q33Q049

RETASPIMYCIN HYDROCHLORIDE