UROPORPHYRIN I OCTAMETHYL ESTER

Details

Stereochemistry	ACHIRAL
Molecular Formula	C48H54N4O16
Molecular Weight	942.9596
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of UROPORPHYRIN I OCTAMETHYL ESTER

Structure Search

SMILES

COC(=O)CCC1=C2NC(C=C3N=C(C=C4NC(=CC5=NC(=C2)C(CC(=O)OC)=C5CCC(=O)OC)C(CC(=O)OC)=C4CCC(=O)OC)C(CC(=O)OC)=C3CCC(=O)OC)=C1CC(=O)OC

InChI

InChIKey=RZIFHRRCTMJBHH-GOJGWFAPSA-N

InChI=1S/C48H54N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37/h21-24,49,52H,9-20H2,1-8H3/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23-

HIDE SMILES / InChI

Molecular Formula	C48H54N4O16
Molecular Weight	942.9596
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 `Tue Apr 01 17:40:47 GMT 2025` Edited by `admin` on `Tue Apr 01 17:40:47 GMT 2025`
Record UNII	11PSF25S1Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UROPORPHYRIN I OCTAMETHYL ESTER

Common Name

English

NSC-89197

Preferred Name

English

21H,23H-PORPHINE-2,7,12,17-TETRAPROPANOIC ACID, 3,8,13,18-TETRAKIS(2-METHOXY-2-OXOETHYL)-, TETRAMETHYL ESTER

Common Name

English

2,7,12,17-PORPHINETETRAPROPIONIC ACID, 3,8,13,18-TETRAKIS(CARBOXYMETHYL)-, OCTAMETHYL ESTER

Systematic Name

English

21H,23H-PORPHINE-2,7,12,17-TETRAACETIC ACID, 3,8,13,18-TETRAKIS(3-METHOXY-3-OXOPROPYL)-, 2,7,12,17-TETRAMETHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

10170-03-3