PORPHYRIN C

Details

Stereochemistry	MIXED
Molecular Formula	C40H48N6O8S2
Molecular Weight	804.975
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(SC[C@H](N)C(O)=O)C1=C(C)C2=CC3=NC(=CC4=C(CCC(O)=O)C(C)=C(N4)C=C5N=C(C=C1N2)C(C)=C5C(C)SC[C@H](N)C(O)=O)C(CCC(O)=O)=C3C

InChI

InChIKey=JDPDOXHWPOFIRV-MHOFMZCXSA-N

InChI=1S/C40H48N6O8S2/c1-17-23(7-9-35(47)48)31-14-32-24(8-10-36(49)50)18(2)28(44-32)12-33-38(22(6)56-16-26(42)40(53)54)20(4)30(46-33)13-34-37(21(5)55-15-25(41)39(51)52)19(3)29(45-34)11-27(17)43-31/h11-14,21-22,25-26,44-45H,7-10,15-16,41-42H2,1-6H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b27-11-,28-12-,29-11-,30-13-,31-14-,32-14-,33-12-,34-13-/t21?,22?,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H48N6O8S2
Molecular Weight	804.975
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:47:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:47:40 GMT 2025`
Record UNII	6T52VB0ARD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21H,23H-PORPHINE-2,18-DIPROPANOIC ACID, 7,12-BIS(1-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)ETHYL)-3,8,13,17-TETRAMETHYL-

Preferred Name

English

PORPHYRIN C

Common Name

English

Code System Code Type Description

FDA UNII

6T52VB0ARD

Created by admin on Mon Mar 31 22:47:40 GMT 2025 , Edited by admin on Mon Mar 31 22:47:40 GMT 2025

PRIMARY

EPA CompTox

DTXSID901318144

Created by admin on Mon Mar 31 22:47:40 GMT 2025 , Edited by admin on Mon Mar 31 22:47:40 GMT 2025

PRIMARY

CAS

479665-99-1

Created by admin on Mon Mar 31 22:47:40 GMT 2025 , Edited by admin on Mon Mar 31 22:47:40 GMT 2025

PRIMARY

CAS

635-50-7

Created by admin on Mon Mar 31 22:47:40 GMT 2025 , Edited by admin on Mon Mar 31 22:47:40 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY