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

Details

Stereochemistry ACHIRAL
Molecular Formula C42H64N2O12
Molecular Weight 788.9638
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DP-B99 FREE ACID

SMILES

CCCCCCCCOCCOC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC2=C(C=CC=C2)N(CC(O)=O)CC(=O)OCCOCCCCCCCC

InChI

InChIKey=FTGBVHPWUIHWRH-UHFFFAOYSA-N
InChI=1S/C42H64N2O12/c1-3-5-7-9-11-17-23-51-25-27-55-41(49)33-43(31-39(45)46)35-19-13-15-21-37(35)53-29-30-54-38-22-16-14-20-36(38)44(32-40(47)48)34-42(50)56-28-26-52-24-18-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18,23-34H2,1-2H3,(H,45,46)(H,47,48)

HIDE SMILES / InChI

Molecular Formula C42H64N2O12
Molecular Weight 788.9638
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:46:38 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:38 GMT 2023
Record UNII
TDX7IXK9CU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DP-B99 FREE ACID
Common Name English
DP-B 99 FREE ACID
Common Name English
GLYCINE, N,N'-(1,2-ETHANEDIYLBIS(OXY-2,1-PHENYLENE))BIS(N-(CARBOXYMETHYL)-, 1,1'-BIS(2-(OCTYLOXY)ETHYL) ESTER
Systematic Name English
DP-BAPTA-99 FREE ACID
Common Name English
1,2-BIS(2-AMINOPHENOXY)ETHANE-N,N-DI(2-OCTYLOXYETHYL ACETATE)-N,N-DIACETIC ACID
Systematic Name English
DP-B-99 FREE ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20187908
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
CAS
222315-88-0
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
SMS_ID
300000041457
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
PUBCHEM
9810955
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
FDA UNII
TDX7IXK9CU
Created by admin on Sat Dec 16 16:46:38 GMT 2023 , Edited by admin on Sat Dec 16 16:46:38 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY