PINANEDIOL PYRROLIDIN-2-YLBORONATE HYDROCHLORIDE, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H24BNO2.ClH
Molecular Weight	285.618
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PINANEDIOL PYRROLIDIN-2-YLBORONATE HYDROCHLORIDE, (+)-

Structure Search

SMILES

Cl.[H][C@@]12C[C@@H]3C[C@@H](C3(C)C)[C@]1(C)OB(O2)[C@@H]4CCCN4

InChI

InChIKey=OVVMNBVQOPZMPY-AKDYBRCWSA-N

InChI=1S/C14H24BNO2.ClH/c1-13(2)9-7-10(13)14(3)11(8-9)17-15(18-14)12-5-4-6-16-12;/h9-12,16H,4-8H2,1-3H3;1H/t9-,10-,11+,12-,14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H24BNO2
Molecular Weight	249.157
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 `Sat Dec 16 15:04:03 GMT 2023` Edited by `admin` on `Sat Dec 16 15:04:03 GMT 2023`
Record UNII	J6V3ET5R6W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PINANEDIOL PYRROLIDIN-2-YLBORONATE HYDROCHLORIDE, (+)-

Common Name

English

PYRROLIDINE, 2-((3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL)-, HYDROCHLORIDE (1:1), (2R)-

Systematic Name

English

PYRROLIDINE, 2-(HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL)-, HYDROCHLORIDE, (3AS-(2(S*),3A.ALPHA.,4.BETA.,6.BETA.,7A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

J6V3ET5R6W

Created by admin on Sat Dec 16 15:04:04 GMT 2023 , Edited by admin on Sat Dec 16 15:04:04 GMT 2023

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PUBCHEM

46238454

Created by admin on Sat Dec 16 15:04:04 GMT 2023 , Edited by admin on Sat Dec 16 15:04:04 GMT 2023

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CAS

147208-69-3

Created by admin on Sat Dec 16 15:04:04 GMT 2023 , Edited by admin on Sat Dec 16 15:04:04 GMT 2023

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EPA CompTox

DTXSID00673177

Created by admin on Sat Dec 16 15:04:04 GMT 2023 , Edited by admin on Sat Dec 16 15:04:04 GMT 2023

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PINANEDIOL PYRROLIDIN-2-YLBORONATE, (+)-

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