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

Details

Stereochemistry EPIMERIC
Molecular Formula C42H55N5O5
Molecular Weight 709.9166
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL BACTERIOPURPURINIMIDE

SMILES

CCCCOC(C)C1=C(C)C2=CC3=NC([C@@H](CCC(=O)OC)[C@@H]3C)=C4C5=C(C(C)=C(N5)C=C6N=C(C=C1N2)[C@H](C)[C@H]6CC)C(=O)N(CCCC)C4=O

InChI

InChIKey=PPYDAYHKDYWTBT-ZIWSGLPVSA-N
InChI=1S/C42H55N5O5/c1-10-13-17-47-41(49)37-25(7)32-20-33-27(12-3)22(4)29(43-33)21-34-36(26(8)52-18-14-11-2)24(6)31(44-34)19-30-23(5)28(15-16-35(48)51-9)39(45-30)38(42(47)50)40(37)46-32/h19-23,26-28,44,46H,10-18H2,1-9H3/b29-21-,30-19-,31-19-,32-20-,33-20-,34-21-,39-38+/t22-,23+,26?,27-,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL BACTERIOPURPURINIMIDE
Common Name English
9,12-IMINO-2,21-METHENO-7,4:14,17-DINITRILO-4H-PYRIDO(4,3-B)AZACYCLONONADECINE-16-PROPANOIC ACID, 10-(1-BUTOXYETHYL)-19-BUTYL-5-ETHYL-1,5,6,15,16,18,19,20-OCTAHYDRO-6,11,15,22-TETRAMETHYL-18,20-DIOXO-, (5R,6R,15S,16S)-
Systematic Name English
3-(1-BUTYLOXY)ETHYL-3-DEACETYL-BACTERIOPURPURIN-18-N-BUTYLIMIDE METHYL ESTER
Common Name English
BACTERIOPURPURINIMIDE-METHYL ESTER
Common Name English
PHOTOBAC
Brand Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 615317
Created by admin on Sat Dec 16 13:39:52 GMT 2023 , Edited by admin on Sat Dec 16 13:39:52 GMT 2023
Code System Code Type Description
FDA UNII
E7DBJ0SBC7
Created by admin on Sat Dec 16 13:39:52 GMT 2023 , Edited by admin on Sat Dec 16 13:39:52 GMT 2023
PRIMARY
CAS
2044523-17-1
Created by admin on Sat Dec 16 13:39:52 GMT 2023 , Edited by admin on Sat Dec 16 13:39:52 GMT 2023
PRIMARY
NCI_THESAURUS
C199614
Created by admin on Sat Dec 16 13:39:52 GMT 2023 , Edited by admin on Sat Dec 16 13:39:52 GMT 2023
PRIMARY