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| CAS Number | 40391-99-9 |
| Catalog Number | AG007358(AGN-PC-0JK6YZ) |
| Chemical Name | Pamidronic acid |
| IUPAC Name | (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid |
| InChI | InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11) |
| InChI Key | WRUUGTRCQOWXEG-UHFFFAOYSA-N |
| MDL Number | MFCD00168777 |
| Molecular Formula | C3H11NO7P2 |
| Molecular Weight | 235.0695 |
| SMILES | OC(P(O)(O)=O)(P(O)(O)=O)CCN |
| UNII | OYY3447OMC |
| Synonyms | (3-amino-1-hydroxypropylidene)-1,1-biphosphonate,
1 Hydroxy 3 aminopropane 1,1 diphosphonic acid,
1-hydroxy-3-aminopropane-1,1-diphosphonic acid,
AHPrBP,
amidronate,
Amino 1 hydroxypropane 1,1 diphosphonate,
amino-1-hydroxypropane-1,1-diphosphonate,
aminohydroxypropylidene diphosphonate,
aminopropanehydroxydiphosphonate,
Aredia,
pamidronate,
pamidronate calcium,
pamidronate disodium,
pamidronate monosodium,
Pamidronic Acid,
PAMIDRONIC ACID,
pamidronate,
40391-99-9,
Amidronate,
Aredia,
Acido pamidronico,
Acide pamidronique,
Acidum pamidronicum,
Aminomux,
Acide pamidronique [INN-French],
Acido pamidronico [INN-Spanish],
Acidum pamidronicum [INN-Latin],
PAMIDRONATE DISODIUM,
Pamidronic acid [INN:BAN],
AHPrBP,
Disodium pamidronate,
UNII-OYY3447OMC,
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid,
(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid),
C3H11NO7P2,
EINECS 254-905-2,
(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID,
(3-Amino-1-hydroxypropylidene)bisphosphonic acid,
CHEMBL834,
OYY3447OMC,
(3-Amino-1-hydroxypropylidene)diphosphonic acid,
3-amino-1-hydroxypropane-1,1-diphosphonic acid,
WRUUGTRCQOWXEG-UHFFFAOYSA-N,
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-,
CGP-23339AE,
NCGC00159433-02,
AK113121,
DSSTox_CID_3414,
DSSTox_RID_77017,
DSSTox_GSID_23414,
57248-88-1,
Bisphosphonate 6,
Ribodroat (TN),
aminopropanehydroxydiphosphonate,
CAS-40391-99-9,
Pamidronic acid (INN),
amino-1-hydroxypropane-1,1-diphosphonate,
1-hydroxy-3-aminopropane-1,1-diphosphonic acid,
(3-amino-1-hydroxypropylidene)-1,1-bisphosphonate,
ChemDiv1_025240,
AC1L1IP4,
3-Amino-1-hydroxypropylidene-1,1-diphosphonate,
SCHEMBL18361,
BIDD:GT0538,
CHEBI:7903,
GTPL7259,
JMC515594 Compound 62,
DTXSID4023414,
BDBM12581,
CTK8G2260,
HMS658L06,
HMS2090C13,
BCP17709,
CCG-2075,
HY-B0012,
ZINC3812862,
Tox21_111664,
2631AH,
HSCI1_000312,
MFCD00168777,
s2063,
STL510914,
AKOS003599275,
Tox21_111664_1,
API0003737,
CS-7787,
DB00282,
MCULE-4373491291,
VA11481,
ACM40391999,
NCGC00159433-03,
NCGC00165862-02,
AJ-72818,
AN-33629,
CC-33460,
SC-81484,
AB2000467,
AX8146697,
LS-174826,
FT-0630610,
ST24048873,
C07395,
D07281,
391P999,
A825084,
C-13855,
Propane-1-hydroxy-3-amino-1,1-diphosphonic acid,
SR-01000514873,
3-amino-1-hydroxypropane-1,1-diyldiphosphonic acid,
I14-2407,
SR-01000514873-1,
(3-azanyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid,
Phosphonic acid, P,P'-(3-amino-1-hydroxypropylidene)bis-,
null,
Pamidronicacid,
Ribodroat,
pamidronate calcium,
pamidronate monosodium,
UNII-C7S8VWP5DH,
D0BF8G,
Pamidronate disodium hydrate,
Pamidronic acid [BAN:INN],
Pamidronate disodium anhydrous,
Pamidronic acid disodium salt,
aminohydroxypropylidene diphosphonate,
C3H11NO7P2.2Na,
CGP 23339A,
CGP 23339AE,
CID4674,
C3-H9-N-O7-P2.2Na,
CGP 23339 A,
C3-H11-N-O7-P2,
EINECS 260-647-1,
CS-O-02157,
CS-O-30893,
Amino 1 hydroxypropane 1,1 diphosphonate,
Novartis brand of pamidronate disodium salt,
2606A,
B1807,
(3-amino-1-hydroxypropylidene)-1,1-biphosphonate,
A11685,
1 Hydroxy 3 aminopropane 1,1 diphosphonic acid,
(3-Amino-1-hydr-oxypropylidene)bisphosphonic acid,
Aminohydroxypropylidene diphosphonate disodium salt,
C019248,
APD,
Disodium 3-amino-1-hydroxypropane-1,1-diphosphonate,
D000077268,
(3-Amino-1-hydroxypropylidene)diphosphonic acid disodium salt,
Disodium dihydrogen (3-amino-1-hydroxypropylidene)bisphosphonate,
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.069g/mol |
| Monoisotopic Mass | 235.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.9 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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| Formula: | ||
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