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Substance Name: 3,5,13,15-Tetraaza-4,14-diphosphatricyclo(15.3.1.1(7,11))docosa-1(21),7,9,11(22),17,19-hexaene, 4,4,14,14-tetrahydro-4,4,4,14,14,14-hexakis(1-aziridinyl)-2,6,12,16-tetraoxo-
RN: 52403-15-3
InChIKey: ZKCAGCLPBGCHKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-N10-O4-P2

Molecular Weight

  • 638.6064
 
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Names and Synonyms

  • 3,5,13,15-Tetraaza-4,14-diphosphatricyclo(15.3.1.1(7,11))docosa-1(21),7,9,11(22),17,19-hexaene, 4,4,14,14-tetrahydro-4,4,4,14,14,14-hexakis(1-aziridinyl)-2,6,12,16-tetraoxo-

Registry Numbers

CAS Registry Number

  • 52403-15-3

System Generated Number

  • 0052403153

Structure Descriptors

InChI

1S/C28H36N10O4P2/c39-25-21-3-1-4-22(19-21)26(40)30-44(36-13-14-36,37-15-16-37,38-17-18-38)32-28(42)24-6-2-5-23(20-24)27(41)31-43(29-25,33-7-8-33,34-9-10-34)35-11-12-35/h1-6,19-20H,7-18H2,(H,29,39)(H,30,40)(H,31,41)(H,32,42)

InChIKey

ZKCAGCLPBGCHKZ-UHFFFAOYSA-N

Smiles

c1cc2cc(c1)C(=O)NP(NC(=O)c3cccc(c3)C(=O)NP(NC2=O)(N4CC4)(N5CC5)N6CC6)(N7CC7)(N8CC8)N9CC9

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 108mg/kg (108mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

BLOOD: CHANGES IN SPLEEN
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
rabbit LD50 intravenous 14mg/kg (14mg/kg) BLOOD: CHANGES IN SPLEEN

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.
rat LD50 subcutaneous 52mg/kg (52mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"
Farmakologiya i Toksikologiya Vol. 8, Pg. 73, 1973.