PENIMOCYCLINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H43N5O12S
Molecular Weight	805.85
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENIMOCYCLINE

Structure Search

SMILES

CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(=O)NCN[C@@H](C(=O)N[C@H]5[C@H]6SC(C)(C)[C@@H](N6C5=O)C(O)=O)C7=CC=CC=C7)=C1O

InChI

InChIKey=ZVVMCQBZCQRRME-YABKDXSZSA-N

InChI=1S/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40,45,47-48,55-56H,14-15H2,1-5H3,(H,41,50)(H,42,51)(H,53,54)/t18-,19-,24+,25+,26-,29-,35+,38+,39-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

PENIMOCYCLINE

Official Name

English

6-(2-(((4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDO)METHYL)AMINO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Preferred Name

English

penimocycline [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C258

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

Code System Code Type Description

SMS_ID

100000082482

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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EPA CompTox

DTXSID601043146

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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MESH

C010998

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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CAS

16259-34-0

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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NCI_THESAURUS

C90689

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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FDA UNII

2176O1M292

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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EVMPD

SUB09669MIG

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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ECHA (EC/EINECS)

240-365-5

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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INN

2672

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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ChEMBL

CHEMBL2103907

Created by admin on Wed Apr 02 06:51:53 GMT 2025 , Edited by admin on Wed Apr 02 06:51:53 GMT 2025

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ACTIVE MOIETY


					2176O1M292