CL-315555

Details

Stereochemistry	RACEMIC
Molecular Formula	C41H42N4O8
Molecular Weight	718.7942
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CCC1=C(C)C2=CC3=NC(=CC4=C(C)C(C=C)=C(N4)C=C5N=C(C=C1N2)C(CCC(O)=O)=C5C)C6=CC=C([C@@H](C(=O)OC)[C@@]36C)C(=O)OC

InChI

InChIKey=YTZALCGQUPRCGW-MXVXOLGGSA-N

InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/b28-16-,29-17-,30-19-,31-16-,32-18-,33-18-,34-17-,35-19-/t38-,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H40N4O8
Molecular Weight	716.7783
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:03 UTC 2023` Edited by `admin` on `Fri Dec 15 15:55:03 UTC 2023`
Record UNII	WU713D62N9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CL-315555

Code

English

VERTEPORFIN-MAC

Common Name

English

VERTEPORFIN C ISOMER

Common Name

English

BPD-MA(SUB C)

Common Name

English

23H,25H-BENZO(B)PORPHINE-9,13-DIPROPANOIC ACID, 18-ETHENYL-4,4A-DIHYDRO-3,4-BIS(METHOXYCARBONYL)-4A,8,14,19-TETRAMETHYL-, 9-MONOMETHYL ESTER, TRANS-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1420