PIPACYCLINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38N4O9
Molecular Weight	586.6334
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIPACYCLINE

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN5CCN(CCO)CC5)=C(O)[C@H]2N(C)C

InChI

InChIKey=XATZHCXBMKRRDO-REHNUXHNSA-N

InChI=1S/C29H38N4O9/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/t16-,17-,22-,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H38N4O9
Molecular Weight	586.6334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:11:19 UTC 2023` Edited by `admin` on `Fri Dec 15 16:11:19 UTC 2023`
Record UNII	PQ3P6082I5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PIPACYCLINE

Official Name

English

NSC-69335

Code

English

4-DIMETHYLAMINO-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTA-HYDROXY-N-((4-(2-HYDROXYETHYL)-1-PIPERAZINYL)METHYL)-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE

Common Name

English

PIPACYCLINE [MI]

Common Name

English

pipacycline [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1595

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

Code System Code Type Description

INN

1270

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

PRIMARY

NSC

69335

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

PRIMARY

NCI_THESAURUS

C66391

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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SMS_ID

100000081960

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

PRIMARY

CHEBI

75262

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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ChEMBL

CHEMBL2105824

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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FDA UNII

PQ3P6082I5

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

PRIMARY

CAS

1110-80-1

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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ECHA (EC/EINECS)

214-176-3

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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EVMPD

SUB09858MIG

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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EPA CompTox

DTXSID00891415

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

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MERCK INDEX

m8836

Created by admin on Fri Dec 15 16:11:19 UTC 2023 , Edited by admin on Fri Dec 15 16:11:19 UTC 2023

PRIMARY

Merck Index

Related Record Type Details


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PENIMEPICYCLINE

SALT/SOLVATE -> PARENT

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					PQ3P6082I5

ACTIVE MOIETY