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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26BrN3O8
Molecular Weight 588.404
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUOCARMYCIN B2

SMILES

COC(=O)[C@]1(C)NC2=C(C1=O)C3=C(C=C2O)N(C[C@H]3CBr)C(=O)C4=CC5=C(N4)C(OC)=C(OC)C(OC)=C5

InChI

InChIKey=UQPQXFUURNIVNJ-MZHQLVBMSA-N
InChI=1S/C26H26BrN3O8/c1-26(25(34)38-5)23(32)18-17-12(9-27)10-30(14(17)8-15(31)20(18)29-26)24(33)13-6-11-7-16(35-2)21(36-3)22(37-4)19(11)28-13/h6-8,12,28-29,31H,9-10H2,1-5H3/t12-,26-/m1/s1

HIDE SMILES / InChI
Molecular Formula C26H26BrN3O8
Molecular Weight 588.404
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:32:16 GMT 2023
Edited
by admin
on Sat Dec 16 18:32:16 GMT 2023
Record UNII
NJF66RR6DY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DUOCARMYCIN B2
Common Name English
DC-89B2
Code English
Methyl (2R,8S)-8-(bromomethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]benzo[1,2-b:4,3-b′]dipyrrole-2-carboxylate
Systematic Name English
Benzo[1,2-b:4,3-b′]dipyrrole-2-carboxylic acid, 8-(bromomethyl)-1,2,3,6,7,8-hexahydro-4-hydroxy-2-methyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, methyl ester, (2R,8S)-
Systematic Name English
DC89B2
Code English
Code System Code Type Description
FDA UNII
NJF66RR6DY
Created by admin on Sat Dec 16 18:32:16 GMT 2023 , Edited by admin on Sat Dec 16 18:32:16 GMT 2023
PRIMARY
PUBCHEM
147808
Created by admin on Sat Dec 16 18:32:16 GMT 2023 , Edited by admin on Sat Dec 16 18:32:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID10924783
Created by admin on Sat Dec 16 18:32:16 GMT 2023 , Edited by admin on Sat Dec 16 18:32:16 GMT 2023
PRIMARY
CAS
124325-94-6
Created by admin on Sat Dec 16 18:32:16 GMT 2023 , Edited by admin on Sat Dec 16 18:32:16 GMT 2023
PRIMARY
Related Record Type Details
Structure of PIBROZELESIN
DERIVATIVE -> PARENT
Related Record Type Details
Structure of DUOCARMYCIN B2
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