U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H36BrN5O8.BrH
Molecular Weight 779.473
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIBROZELESIN HYDROBROMIDE

SMILES

Br.COC(=O)C1=C(C)NC2=C(OC(=O)N3CCN(C)CC3)C=C4N(C[C@@H](CBr)C4=C12)C(=O)C5=CC6=C(N5)C(OC)=C(OC)C(OC)=C6

InChI

InChIKey=YMALQNICPSISCA-GMUIIQOCSA-N
InChI=1S/C32H36BrN5O8.BrH/c1-16-23(31(40)45-6)25-24-18(14-33)15-38(20(24)13-21(27(25)34-16)46-32(41)37-9-7-36(2)8-10-37)30(39)19-11-17-12-22(42-3)28(43-4)29(44-5)26(17)35-19;/h11-13,18,34-35H,7-10,14-15H2,1-6H3;1H/t18-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PIBROZELESIN HYDROBROMIDE
USAN   WHO-DD  
USAN  
Official Name English
PIBROZELESIN HYDROBROMIDE [USAN]
Common Name English
METHYL (S)-8-(BROMOMETHYL)-3,6,7,8-TETRAHYDRO-4-HYDROXY-2-METHYL-6-((5,6,7-TRIMETHOXYINDOL-2-YL)CARBONYL)BENZO(1,2-B:4,3-B')DIPYRROLE-1-CARBOXYLATE, 4-METHYL-1-PIPERAZINECARBOXYLATE (ESTER), MONOHYDROBROMIDE
Common Name English
Pibrozelesin hydrobromide [WHO-DD]
Common Name English
BENZO(1,2-B:4,3-B')DIPYRROLE-1-CARBOXYLIC ACID, 8-(BROMOMETHYL)-3,6,7,8-TETRAHYDRO-2-METHYL-4-(((4-METHYL-1-PIPERAZINYL)CARBONYL)OXY)-6-((5,6,7-TRIMETHOXY-1H-INDOL-2-YL)CARBONYL)-, METHYL ESTER, HYDROBROMIDE (1:1)
Systematic Name English
KW-2189
Code English
PIBROZELESIN HBR
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2156
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
Code System Code Type Description
FDA UNII
0481JCC90T
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY
PUBCHEM
10078959
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY
USAN
KK-15
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY
NCI_THESAURUS
C73816
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL36015
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY
CAS
148778-32-9
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID90933479
Created by admin on Sat Dec 16 06:45:10 UTC 2023 , Edited by admin on Sat Dec 16 06:45:10 UTC 2023
PRIMARY