7-DES(1-HYDROXYETHYL)-7-ETHENYL HEMATOPORPHYRIN

Details

Stereochemistry	RACEMIC
Molecular Formula	C34H36N4O5
Molecular Weight	580.6734
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-DES(1-HYDROXYETHYL)-7-ETHENYL HEMATOPORPHYRIN

Structure Search

SMILES

CC(O)C1=C2NC(C=C3N=C(C=C4NC(=CC5=NC(=C2)C(C)=C5C=C)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C

InChI

InChIKey=AMDBLDGICFZSOP-AWKNCVNESA-N

InChI=1S/C34H36N4O5/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26/h7,12-15,20,37-39H,1,8-11H2,2-6H3,(H,40,41)(H,42,43)/b24-12-,25-13-,26-14-,27-12-,28-13-,29-15-,30-15-,31-14-

HIDE SMILES / InChI

Molecular Formula	C34H34N4O5
Molecular Weight	578.6576
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:13:14 GMT 2023` Edited by `admin` on `Sat Dec 16 09:13:14 GMT 2023`
Record UNII	8H8GR50XSY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-DES(1-HYDROXYETHYL)-7-ETHENYL HEMATOPORPHYRIN

Common Name

English

21H,23H-PORPHINE-2,18-DIPROPANOIC ACID, 7-ETHENYL-12-(1-HYDROXYETHYL)-3,8,13,17-TETRAMETHYL-

Systematic Name

English

DEUTEROPORPHYRIN IX 2,4 (4,2) HYDROXYETHYL VINYL

Common Name

English

Code System Code Type Description

PUBCHEM

455607

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

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EPA CompTox

DTXSID20332411

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

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FDA UNII

8H8GR50XSY

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

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CAS

77222-65-2

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

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