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Details

Stereochemistry ACHIRAL
Molecular Formula C30H36Br2N12O4
Molecular Weight 788.493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-157977 FREE BASE

SMILES

CN1C=C(NC(=O)C2=CC=C(C=C2)N(CCBr)CCBr)C=C1C(=O)NC3=NN(C)C(=C3)C(=O)NC4=NN(C)C(=C4)C(=O)NCCC(N)=N

InChI

InChIKey=IKRZGQTXKUVKGF-UHFFFAOYSA-N
InChI=1S/C30H36Br2N12O4/c1-41-17-19(36-27(45)18-4-6-20(7-5-18)44(12-9-31)13-10-32)14-21(41)29(47)37-26-16-23(43(3)40-26)30(48)38-25-15-22(42(2)39-25)28(46)35-11-8-24(33)34/h4-7,14-17H,8-13H2,1-3H3,(H3,33,34)(H,35,46)(H,36,45)(H,37,40,47)(H,38,39,48)

HIDE SMILES / InChI

Molecular Formula C30H36Br2N12O4
Molecular Weight 788.493
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:52:06 GMT 2023
Edited
by admin
on Sat Dec 16 06:52:06 GMT 2023
Record UNII
9FW8CNZ6WS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-157977 FREE BASE
Common Name English
N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRAZOL-3-YL)-3-(((4-((4-(BIS(2-BROMOETHYL)AMINO)BENZOYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE
Systematic Name English
1H-PYRAZOLE-5-CARBOXAMIDE, N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRAZOL-3-YL)-3-(((4-((4-(BIS(2-BROMOETHYL)AMINO)BENZOYL)AMINO)-1-METHYL-1H-PYRROL-2-YL)CARBONYL)AMINO)-1-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
9962753
Created by admin on Sat Dec 16 06:52:06 GMT 2023 , Edited by admin on Sat Dec 16 06:52:06 GMT 2023
PRIMARY
CAS
177410-04-7
Created by admin on Sat Dec 16 06:52:06 GMT 2023 , Edited by admin on Sat Dec 16 06:52:06 GMT 2023
PRIMARY
FDA UNII
9FW8CNZ6WS
Created by admin on Sat Dec 16 06:52:06 GMT 2023 , Edited by admin on Sat Dec 16 06:52:06 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY