Bortezomib-pinanediol

CAS

205393-22-2

Catalog Number

ACM205393222

Category

Other Products

Molecular Weight

518.462

Molecular Formula

C₂₉H₃₉BN₄O₄

MSDS COA Spec Sheet

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Specification

Synonyms

BORTEZOMIB-PINANEDIOL;Bortezomib pinanediol ester;N-[(1S)-2-[[(1R)-1-[(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-2-pyrazinecarboxamide;Bortezomib intermediates III;(1S,2S,3R,5S)-Pinanediol N-(2-pyrazinecarbony1)-L-phenylalanine-L-leucine boronate;BortezoMib InterMediate III (BortezoMib pinanediol ester);BortezoMib VI;BortezoMib interMediates N-1

Melting Point

75-83°C

Density

1.19

What is the molecular formula of bortezomib-pinanediol according to the reference?

The molecular formula of bortezomib-pinanediol is C29H39BN4O4.

When was bortezomib-pinanediol created and last modified?

Bortezomib-pinanediol was created on 2007-07-23 and last modified on 2023-12-30.

What is the molecular weight of bortezomib-pinanediol?

The molecular weight of bortezomib-pinanediol is 518.5 g/mol.

What is the IUPAC name of bortezomib-pinanediol?

The IUPAC name of bortezomib-pinanediol is N-[(2S)-1-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0 2,6 ]decan-4-yl]butyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide.

What is the InChIKey of bortezomib-pinanediol?

The InChIKey of bortezomib-pinanediol is HZCSTPSWJFWZHP-GQABWHEGSA-N.

What is the Canonical SMILES of bortezomib-pinanediol?

The Canonical SMILES of bortezomib-pinanediol is B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5=NC=CN=C5.

What is the ChEMBL ID of bortezomib-pinanediol?

The ChEMBL ID of bortezomib-pinanediol is CHEMBL501663.

How many hydrogen bond donor counts does bortezomib-pinanediol have?

Bortezomib-pinanediol has 2 hydrogen bond donor counts.

What is the exact mass of bortezomib-pinanediol?

The exact mass of bortezomib-pinanediol is 518.3064359 g/mol.

How many defined atom stereocenter counts does bortezomib-pinanediol have?

Bortezomib-pinanediol has 6 defined atom stereocenter counts.