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10397-75-8

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Basic Information
CAS No.: 10397-75-8
Name: iocarmic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 10397-75-8 (iocarmic acid)
Formula: C24H20 I6 N4 O8
Molecular Weight: 1253.87
Synonyms: Isophthalamicacid, 5,5'-(adipoyldiimino)bis[2,4,6-triiodo-N-methyl- (7CI,8CI);5,5'-(Adipoyldiimino)bis[2,4,6-triiodo-N-methylisophthalamic acid]; Iocarmicacid; MP 2032
Density: 2.57g/cm3
Melting Point: 302° (dec)
Boiling Point: 868.1°Cat760mmHg
Flash Point: 478.8°C
Safety: Poison by parenteral route. Moderately toxic by intracerebral route. When heated to decomposition it emits toxic fumes of I− and NOx.
PSA: 191.00000
LogP: 6.49520
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Chemistry

Product Name: Iocarmic acid (CAS NO.10397-75-8)


Molecular Formula: C24H20I6N4O8
Molecular Weight: 1253.85g/mol
Mol File: 10397-75-8.mol
Einecs: 233-861-8
Boiling point: 868.1 °C at 760 mmHg
Flash Point: 478.8 °C
Density: 2.57 g/cm3
Surface Tension: 83.3 dyne/cm
Enthalpy of Vaporization: 132.18 kJ/mol
Vapour Pressure: 3.52E-32 mmHg at 25°C
XLogP3-AA: 4.1
H-Bond Donor: 6
H-Bond Acceptor: 8
IUPAC Name: 3-[[6-[3-carboxy-2,4,
6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,
6-triiodo-5-(methylcarbamoyl)benzoic acid
Canonical SMILES: CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)
NC)I)I)C(=O)O)I
InChI: InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)
33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)
42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42) 
InChIKey: SMQYOVYWPWASGU-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intracrebral 461mg/kg (461mg/kg)   United States Patent Document. Vol. #4001323,
mouse LD50 intravenous 9057mg/kg (9057mg/kg)   United States Patent Document. Vol. #4001323,
mouse LD50 oral > 16gm/kg (16000mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 497, 1976.
mouse LD50 subcutaneous > 16gm/kg (16000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Yakkyoku. Pharmacy. Vol. 27, Pg. 497, 1976.
rabbit LD50 parenteral 61mg/kg (61mg/kg)   United States Patent Document. Vol. #4001323,
rat LD50 intraarterial 6587mg/kg (6587mg/kg)   United States Patent Document. Vol. #4001323,
rat LD50 intracrebral 610mg/kg (610mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Yakkyoku. Pharmacy. Vol. 27, Pg. 497, 1976.
rat LD50 intravenous 13300mg/kg (13300mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Yakkyoku. Pharmacy. Vol. 27, Pg. 497, 1976.
rat LD50 oral > 16gm/kg (16000mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 497, 1976.
rat LD50 subcutaneous > 16gm/kg (16000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 Yakkyoku. Pharmacy. Vol. 27, Pg. 497, 1976.

Safety Profile

Poison by parenteral route. Moderately toxic by intracerebral route. When heated to decomposition it emits toxic fumes of I− and NOx.

Specification

 Iocarmic acid ,its CAS NO. is 10397-75-8,the synonyms is 5,5'-(Adipoyldiimino)bis(2,4,6-triiodo-N-methylisophthalamic acid) ; 5,5'-(Tetramethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid) ; 5,5'-Hexanediamidebis(2,4,6-triiodo-N-methylisophthalamic acd) ; Acide iocarmique ; Acidum jocarmicum ; BRN 2800350 ; Benzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)- ; EINECS 233-861-8 ; Iocarmate ; MP 2032 ; Mielotrast ; UNII-82PB24K6TZ ; 3,3'-((1,6-Dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)benzoic acid) ; Benzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)- ; Isophthalamic acid, 5,5'-(tetramethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo- .