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Chlorin e6

Chlorin e6 structure

CAS No:
19660-77-6
Formula:
C34H36N4O6
Chemical Name:
Chlorin e6
Synonyms:
21H,23H-Porphine-7-propanoic acid,3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-,(7S,8S)-;2-Porphinepropionic acid,18-carboxy-20-(carboxymethyl)-13-ethyl-2β,3-dihydro-3β,7,12,17-tetramethyl-8-vinyl-;Chlorine e6;21H,23H-Porphine-2-propanoic acid,18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-,(2S-trans)-;(7S,8S)-3-Carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoic acid;Phytochlorine e6;Chlorine a6;Chlorin e6;Phytochlorin;Phytochlorin e6;Chlorin a6;Chlorophyllin;Photochlorine;Photolon;130-47-2;482-17-7;23725-01-1;25657-46-9;28068-81-7;53255-00-8;127770-19-8;220255-92-5;261522-17-2;2156703-73-8
Categories:
Specialty Chemicals

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Description

Chlorin E6 is a member of chlorins.

Chlorin e6 Basic Attributes

Molecular Weight：

596.673

Exact Mass：

596.67

EC Number：

243-209-4

UNII：

5S2CCF3T1Z

Characteristics

PSA：

168.20000

XLogP3：

6.73

Density：

1.3±0.1 g/cm3

Boiling Point：

1048.3±65.0 °C at 760 mmHg

Flash Point：

587.8±34.3 °C

Refractive Index：

1.643

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

MeSH Entry Terms：

(17R, 18R)-2-(1-Hexyloxyethyl)-2-devinyl chlorine E6 trisodium salt

Chlorin e6 Use and Manufacturing

Manufacturing Info：

21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, (7S,8S)-: INACTIVE

Computed Properties

Molecular Weight:596.7
XLogP3:4.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:596.26348488
Monoisotopic Mass:596.26348488
Topological Polar Surface Area:169
Heavy Atom Count:44
Complexity:1090
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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