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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H25BN4O4
Molecular Weight 384.237
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BORTEZOMIB

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)B(O)O

InChI

InChIKey=GXJABQQUPOEUTA-RDJZCZTQSA-N
InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1

HIDE SMILES / InChI
Molecular Formula C19H25BN4O4
Molecular Weight 384.237
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:51:47 UTC 2023
Edited
by admin
on Fri Dec 15 15:51:47 UTC 2023
Record UNII
69G8BD63PP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BORTEZOMIB
EMA EPAR   HSDB   INN   JAN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
BORTEZOMIB [USAN]
Common Name English
PS-341
Code English
BORTEZOMIB [VANDF]
Common Name English
BORTEZOMIB ACCORD
Brand Name English
Bortezomib [WHO-DD]
Common Name English
BORTEZOMIB [ORANGE BOOK]
Common Name English
BORTEZOMIB [MART.]
Common Name English
NSC-681239
Code English
LDP-341
Code English
BORTEZOMIB [HSDB]
Common Name English
BORTEZOMIB [MI]
Common Name English
VELCADE
Brand Name English
BORONIC ACID, ((1R)-3-METHYL-1-(((2S)-1-OXO-3-PHENYL-2-((PYRAZINYLCARBONYL)AMINO)PROPYL)AMINO)BUTYL)-
Common Name English
[(1R)-3-Methyl-1-[[(2S)-3-phenyl-2-[(pyrazinylcarbonyl)amino]propanoyl]amino]butyl]boronic acid
Systematic Name English
N-((1S)-1-BENZYL-2-(((1R)-1-(DIHYDROXYBORANYL)-3-METHYLBUTYL)AMINO)-2-OXOETHYL)PYRAZINECARBOXAMIDE
Systematic Name English
BORTEZOMIB HYDRATE [JAN]
Common Name English
BORTEZOMIB [JAN]
Common Name English
bortezomib [INN]
Common Name English
BORTEZOMIB [EMA EPAR]
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS VELCADE (AUTHORIZED: MULTIPLE MYELOMA)
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
FDA ORPHAN DRUG 525816
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
NCI_THESAURUS C2160
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
NDF-RT N0000175604
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
FDA ORPHAN DRUG 464014
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
WHO-VATC QL01XX32
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
FDA ORPHAN DRUG 226106
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
WHO-ATC L01XX32
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
FDA ORPHAN DRUG 328610
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
LIVERTOX NBK548027
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
EMA ASSESSMENT REPORTS BORTEZOMIB ACCORD (AUTHORIZED: MULTIPLE MYELOMA)
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
NDF-RT N0000175075
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
FDA ORPHAN DRUG 163002
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
Code System Code Type Description
CAS
179324-69-7
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
INN
8331
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
PUBCHEM
387447
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
DAILYMED
69G8BD63PP
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
CAS
1610526-91-4
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
ALTERNATIVE
MESH
C400082
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
WIKIPEDIA
BORTEZOMIB
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
NCI_THESAURUS
C1851
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
SMS_ID
100000091450
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
IUPHAR
6391
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID3040980
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
DRUG CENTRAL
391
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
FDA UNII
69G8BD63PP
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
CHEBI
52717
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL325041
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
RXCUI
358258
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY RxNorm
USAN
OO-13
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
DRUG BANK
DB00188
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
EVMPD
SUB20020
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
HSDB
7666
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
MERCK INDEX
m2623
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY Merck Index
NSC
681239
Created by admin on Fri Dec 15 15:51:47 UTC 2023 , Edited by admin on Fri Dec 15 15:51:47 UTC 2023
PRIMARY
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Related Record Type Details
Structure of N-((1S)-1-BENZYL-2-(((1R)-1,2-DIHYDROXY-3-METHYL-BUTYL)AMINO)-2-OXO-ETHYL)PYRAZINE-2-CARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of N-((1S)-2-(((1S,2S)-1,2-DIHYDROXY-3-METHYLBUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)-PYRAZINECARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of N-((1S)-2-(((1S)-1,3-DIHYDROXY-3-METHYLBUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)-PYRAZINECARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of BORTEZOMIB BORONIC ANHYDRIDE
PRODRUG -> METABOLITE ACTIVE
Structure of N-((1S)-2-(((1S,2R)-1,2-DIHYDROXY-3-METHYLBUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)-PYRAZINECARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of N-((1S)-2-(((1R)-1,3-DIHYDROXY-3-METHYLBUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)-PYRAZINECARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of HYDROXY DES(BORIC ACID) BORTEZOMIB, (R)-
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of HYDROXY DES(BORIC ACID) BORTEZOMIB, (S)-
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of N-(PYRAZINYLCARBONYL)-L-PHENYLALANINE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of BORTEZOMIB D-MANNITOL
PRODRUG -> METABOLITE ACTIVE
Structure of N-((1S)-2-HYDROXY-1-((((1S)-1-HYDROXY-3-METHYLBUTYL)AMINO)CARBONYL)-2-PHENYLETHYL)-PYRAZINECARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Structure of N-((1S)-2-AMINO-2-OXO-1-(PHENYLMETHYL)ETHYL)-PYRAZINECARBOXAMIDE
METABOLITE -> PARENT
MINOR
PLASMA
Related Record Type Details
Structure of BORTEZOMIB ACID METHYL ESTER
IMPURITY -> PARENT
Structure of 2-PYRAZINECARBOXAMIDE, N-((1S)-2-((3-HYDROXY-3-METHYL-1-OXOBUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)-
IMPURITY -> PARENT
Structure of N-(2-PYRAZINYLCARBONYL)-L-PHENYLALANYL-N-((1R)-1-BORONO-3-METHYLBUTYL)-L-PHENYLALANINAMIDE
IMPURITY -> PARENT
Structure of N-((1S)-2-((3-METHYLBUTYL)AMINO)-2-OXO-1-(PHENYLMETHYL)ETHYL)-2-PYRAZINECARBOXAMIDE
IMPURITY -> PARENT
Structure of N-2-PYRAZINOCARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID
IMPURITY -> PARENT
Related Record Type Details
Structure of BORTEZOMIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
NCATS
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