METHYL BACTERIOPURPURINIMIDE

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

Structure Search

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

Molecular Formula	C42H53N5O5
Molecular Weight	707.9007
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:39:52 GMT 2023` Edited by `admin` on `Sat Dec 16 13:39:52 GMT 2023`
Record UNII	E7DBJ0SBC7
Record Status	`Validated (UNII)`
Record Version

Download

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