Remastral Blue F3gl

CAT: 0286-R00335Size: 25 gDry Ice: NoHazardous: No

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CAT#:0286-R00335Size:25 g

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CAS Number

1324-58-9

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00068454

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

Precautions

P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Remastral blue ffrl

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CAS Number	1324-58-9
PubChem CID	91873246
IUPAC Name	trisodium;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26(31),27,29,33-hexadecaene-9,12,27-trisulfonate
Molecular Formula	C34H19Cl2N4Na3O11S3
Molecular Weight	895.6
Topological Polar Surface Area	250
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Heavy Atom Count	57
Formal Charge	0
Complexity	2040

SMILES

CCN1C2=C(C(=CC=C2)S(=O)(=O)[O-])C3=CC4=C(C=C31)OC5=C(C6=NC7=C(C=C8C(=C7)C9=C(C=CC(=C9N8CC)S(=O)(=O)[O-])S(=O)(=O)[O-])OC6=C(C5=N4)Cl)Cl.[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H22Cl2N4O11S3.3Na/c1-3-39-18-6-5-7-23(52(41,42)43)26(18)14-10-16-21(12-19(14)39)50-33-29(36)31-34(28(35)30(33)37-16)51-22-13-20-15(11-17(22)38-31)27-24(53(44,45)46)8-9-25(54(47,48)49)32(27)40(20)4-2;;;/h5-13H,3-4H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

InChIKey

VCTDLSMTPQUQMZ-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 1324-58-9

CID: 91873246

Formula: C34H19Cl2N4Na3O11S3

MW: 895.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	895.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Exact Mass	893.9282592
Monoisotopic Mass	893.9282592
Topological Polar Surface Area	250 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	2040
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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