PITHECOLOBINE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H46N4O2
Molecular Weight	398.6262
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PITHECOLOBINE

Structure Search

SMILES

CCCCCCCC1CCCC(=O)NCCCN(O)CCCCNCCCN1

InChI

InChIKey=JWJBFSOYLJSIFX-UHFFFAOYSA-N

InChI=1S/C22H46N4O2/c1-2-3-4-5-6-12-21-13-9-14-22(27)25-18-11-20-26(28)19-8-7-15-23-16-10-17-24-21/h21,23-24,28H,2-20H2,1H3,(H,25,27)

HIDE SMILES / InChI

Molecular Formula	C22H46N4O2
Molecular Weight	398.6262
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:45:02 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:02 GMT 2025`
Record UNII	B9DAA2F817
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PITHECOLOBINE

Common Name

English

PITHECOLOBINE [MI]

Preferred Name

English

1,5,10,14-TETRAAZACYCLONONADECAN-15-ONE, 19-HEPTYL-10-HYDROXY-

Systematic Name

English

19-HEPTYL-10-HYDROXY-1,5,10,14-TETRAAZACYCLONONADECAN-15-ONE

Systematic Name

English

Code System Code Type Description

CAS

22368-82-7

Created by admin on Mon Mar 31 22:45:02 GMT 2025 , Edited by admin on Mon Mar 31 22:45:02 GMT 2025

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PUBCHEM

12314355

Created by admin on Mon Mar 31 22:45:02 GMT 2025 , Edited by admin on Mon Mar 31 22:45:02 GMT 2025

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FDA UNII

B9DAA2F817

Created by admin on Mon Mar 31 22:45:02 GMT 2025 , Edited by admin on Mon Mar 31 22:45:02 GMT 2025

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MERCK INDEX

m8892

Created by admin on Mon Mar 31 22:45:02 GMT 2025 , Edited by admin on Mon Mar 31 22:45:02 GMT 2025

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Merck Index

EPA CompTox

DTXSID20331984

Created by admin on Mon Mar 31 22:45:02 GMT 2025 , Edited by admin on Mon Mar 31 22:45:02 GMT 2025

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